| 1. |
- Abbas, Syed Adeel, et al.
(författare)
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Spinel-type Na2MoO4 and Na2WO4 as promising optoelectronic materials : First-principle DFT calculations
- 2020
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Ingår i: Chemical Physics. - : Elsevier. - 0301-0104 .- 1873-4421. ; 538
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Tidskriftsartikel (refereegranskat)abstract
- The mechanical, thermodynamic, electronic, and optical properties of Na2MoO4 (NMO) and Na2WO4 (NWO) spinels are elaborated by density functional theory (DFT) based full potential augmented plane wave method (FP-LAPW + lo). Our optimized lattice constants for the studied spinels are in good agreement with that obtained experimentally. The enthalpy of formation ensures the thermodynamic stability of NMO and NWO in the cubic phase. The Born mechanical stability criteria guarantees their mechanical stability, while Poisson ratio (ν) and Pugh's ratio (B/G) infer their brittle behavior. The Debye temperature (θD) is significant for NMO than NWO. The wide bandgap of 3.5 eV for NMO and 4.4 eV for NWO show the maximum absorption in the ultraviolet region that increases their importance for optoelectronic applications. The optical properties are explained in term of dielectric constant, refractive index, absorption of light, reflection, and optical loss factor.
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| 2. |
- Liu, DJ, et al.
(författare)
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Schizophrenia risk conferred by rare protein-truncating variants is conserved across diverse human populations
- 2023
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Ingår i: Nature genetics. - : Springer Science and Business Media LLC. - 1546-1718 .- 1061-4036. ; 55:3, s. 369-
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Tidskriftsartikel (refereegranskat)abstract
- Schizophrenia (SCZ) is a chronic mental illness and among the most debilitating conditions encountered in medical practice. A recent landmark SCZ study of the protein-coding regions of the genome identified a causal role for ten genes and a concentration of rare variant signals in evolutionarily constrained genes1. This recent study—and most other large-scale human genetics studies—was mainly composed of individuals of European (EUR) ancestry, and the generalizability of the findings in non-EUR populations remains unclear. To address this gap, we designed a custom sequencing panel of 161 genes selected based on the current knowledge of SCZ genetics and sequenced a new cohort of 11,580 SCZ cases and 10,555 controls of diverse ancestries. Replicating earlier work, we found that cases carried a significantly higher burden of rare protein-truncating variants (PTVs) among evolutionarily constrained genes (odds ratio = 1.48; P = 5.4 × 10−6). In meta-analyses with existing datasets totaling up to 35,828 cases and 107,877 controls, this excess burden was largely consistent across five ancestral populations. Two genes (SRRM2 and AKAP11) were newly implicated as SCZ risk genes, and one gene (PCLO) was identified as shared by individuals with SCZ and those with autism. Overall, our results lend robust support to the rare allelic spectrum of the genetic architecture of SCZ being conserved across diverse human populations.
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| 3. |
- Mustafa, Ghulam M., et al.
(författare)
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Study of optoelectronic and transport properties of MgLu2Z4 (Z=S, Se) spinels for optoelectronic and energy harvesting applications
- 2021
-
Ingår i: Materials Science in Semiconductor Processing. - : Elsevier. - 1369-8001 .- 1873-4081. ; 121
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Tidskriftsartikel (refereegranskat)abstract
- Intense research has been done to build materials that are potential candidates for energy storage applications. Spinels are of great interest in this respect because they have vast potential to be used in Mg-based batteries. To explore their energy storage as well as transport response, we calculate Mg-based spinels, namely MgLu2Z4 (ZS, Se). The full potential linearized augmented plane wave method has been used to examine their optoelectronic and transport response. An increase in the lattice constant has been observed by replacing S with Se, and our calculated values are in good agreement with those obtained experimentally. The Tran-Blaha modified Becke-Johnson exchange potential (TB-mBJ), has been used to study the optoelectronic and thermoelectric characteristics of the respective spinels. The dependence of these properties on the bandgap has also been observed. Replacing S with Se resulted in the transformation of the electronic bandgap from near-infrared to the visible region (MgLu2S4: 2.60 eV and MgLu2Se4: 2.00 eV). These results showed that these materials have the potential to be used in optoelectronic devices. The optical properties are discussed as a function of energy. Besides, the thermal transports are discussed with the help of Seebeck coefficient and figure of merit as a function of chemical potential and temperature.
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| 4. |
- Abdullah, Muhammad Imran, et al.
(författare)
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Quantum Chemical Designing of Efficient Sensitizers for Dye Sensitized Solar Cells
- 2013
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Ingår i: Bulletin of the Korean Chemical Society (Print). - : Korean Chemical Society. - 0253-2964 .- 1229-5949. ; 34:7, s. 2093-2098
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Tidskriftsartikel (refereegranskat)abstract
- Density functional theory (DFT) was used to determine the ground state geometries of indigo and new design dyes (IM-Dye-1 IM-Dye-2 and IM-Dye-3). The time dependant density functional theory (TDDFT) was used to calculate the excitation energies. All the calculations were performed in both gas and solvent phase. The LUMO energies of all the dyes were above the conduction band of TiO2, while the HOMOs were below the redox couple (except IM-Dye-3). The HOMO-LUMO energy gaps of new design dyes were smaller as compared to indigo. All new design dyes were strongly red shifted as compared to indigo. The improved light harvesting efficiency (LHE) and free energy change of electron injection Delta G(inject) of new designed sensitizers revealed that these materials would be excellent sensitizers. The broken coplanarity between the benzene near anchoring group having LUMO and the last benzene attached to TPA unit in all new design dyes consequently would hamper the recombination reaction. This theoretical designing will the pave way for experimentalists to synthesize the efficient sensitizers for solar cells.
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| 5. |
- Ahmad, Naveed, et al.
(författare)
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Corporate social responsibility at the micro-level as a “new organizational value” for sustainability : Are females more aligned towards it?
- 2021
-
Ingår i: International Journal of Environmental Research and Public Health. - : MDPI AG. - 1661-7827 .- 1660-4601. ; 18:4
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Tidskriftsartikel (refereegranskat)abstract
- While prior studies have largely addressed corporate social responsibility (CSR) at a macro or institutional level, its importance at the micro or individual level is to date underexplored, especially in the context of developing economies. Further, it is not clear from the studies in the extant literature how the role of females is more important in the context of environmental management as compared to males. Similarly, micro-level CSR (MCSR) is emerging as a “new organizational value”, and the organizations that acknowledge this “new organizational value” and incorporate it into their business operations are likely to achieve sustainability objectives far better as compared to their counterparts. The present study investigates the impact of MCSR on employees’ pro-environmental behavior with the moderating effect of gender in the healthcare sector of Pakistan. The data were collected from five large hospitals in the city of Lahore through a self-administered questionnaire and analyzed using structural equation modeling (SEM) in AMOS software. A total of 533 out of 800 responses were received, which were used for data analysis of the present study. The results revealed that MCSR positively influences employee’s pro-environmental behavior, and gender moderates this relationship but the moderating effect of females is stronger as compared to males. The findings of the present study would help policymakers understand the importance of MCSR as a “new organizational value” to influence employees’ pro-environmental behavior with a special focus to promote the proactive role of females at workplaces.
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| 6. |
- Ahmad, Naveed, et al.
(författare)
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Sustainable businesses speak to the heart of consumers : Looking at sustainability with a marketing lens to reap banking consumers’ loyalty
- 2021
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Ingår i: Sustainability (Switzerland). - : MDPI AG. - 2071-1050. ; 13:7
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Tidskriftsartikel (refereegranskat)abstract
- Achieving consumer loyalty will remain a prime objective of every business in the current volatile, uncertain, complex and ambiguous environment (VUCA), which demands some out-of-thebox thinking on the part of policymakers to sustain the competitive advantage. Sustainability has been emerging as a “new normal” for all industries of the present era, which forces all sectors to incorporate it into their business operations. There have been studies on the relationship between sustainability and consumer loyalty, but these studies are inconclusive, further establishing the importance of more research in this area. In this frame of reference, the present research objective is to test the dimensional impact of corporate social responsibility (CSR) activities (economic, environmental, social) on banking consumers’ loyalty in the context of Pakistan. The data were collected from different bank account holders, which were then analyzed through the structural equation modeling (SEM) technique in AMOS. The results revealed that all three dimensions of CSR positively relate to consumer loyalty. The banking industry policymakers can benefit from the findings of the present study to understand sustainability from the lens of marketing to drive a higher level of consumer loyalty.
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| 7. |
- Ali Ahmad, Syed Ossama, et al.
(författare)
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Application of two-dimensional materials in perovskite solar cells: recent progress, challenges, and prospective solutions
- 2021
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Ingår i: Journal of Materials Chemistry C. - : ROYAL SOC CHEMISTRY. - 2050-7526 .- 2050-7534. ; 9:40, s. 14065-14092
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Forskningsöversikt (refereegranskat)abstract
- Perovskite solar cells (per-SCs) with high performance and cost-effective solution processing have been the center of interest for researchers in the past decade. Power conversion efficiencies (PCEs) have been gradually improved up to 25.2% with relatively improved stability, which is an unparalleled progress in all generations of solar cell (SC) technology. However, there are still some prevailing challenges regarding the stability and upscaling of these promising devices. Recently, 2D layered materials (LMs) have been extensively explored to overcome the prevailing challenges of poor stability (under moisture, light soaking and high temperature), halide segregation, hysteresis, involvement of toxic materials (i.e., lead), and upscaling of devices. A critical review addressing the recent developments in the use of 2D materials, especially transition metal dichalcogenides (TMDCs), is hence necessary. The development of novel synthesis and deposition techniques including liquid-metal synthesis and ultrasonic assisted spray pyrolysis has offered more efficient fabrication of 2D-LMs with controlled thickness and morphology. Effective functionalization approaches to increase the dispersability of 2D-LMs in non-polar solvents has boosted their potential application in solar cell technology as well. Moreover, compositing 2D TMDCs with suitable organic/inorganic compounds has enabled superior charge kinetics in all functional parts of per-SCs. In addition, newly developed materials such as graphyne and graphdyine along with 2D metal organic frameworks (MOFs) and covalent organic frameworks (COFs) have been employed in per-SCs to achieve PCEs up to 20%. This review summarizes the recent progress and challenges in the application of 2D-LMs in per-SCs and outlines the future pathways to further extend the PCE of per-SCs beyond 25%. This review particularly focuses on 2D-LMs as electrode materials and additives, the underlying charge (electron-hole) transport phenomenon in the functional layers, and their chemical and structural stability.
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| 8. |
- Aslam, Marryam, et al.
(författare)
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Physical characteristics of CdZrO3 perovskite at different pressure for optoelectronic application
- 2020
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Ingår i: Journal of Materials Research and Technology. - : Elsevier. - 2238-7854. ; 9:5, s. 9965-9971
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Tidskriftsartikel (refereegranskat)abstract
- A comprehensive investigation of the physical characteristics of any material provides beneficial information regarding its application viewpoint in different industries. Herein, we report the tunable mechanical and optoelectronic properties of cubic CdZrO3 under variable pressure up to 80 GPa using density functional theory (DFT). The pressure-induced band gap engineering reveals a fantastic fact of transformation of the indirect to direct band gap with increasing pressure. The dielectric response disclosed that optical parameters dragged towards higher energy with an increase of pressure, which unveiled the potential of CdZrO3 for optoelectronic applications. Effective change in optoelectronic is attributed to indirect to direct band gap transition. This study provides a gateway to how the optoelectronic properties of cubic CdZrO3 could be tuned by employing external pressure.
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| 9. |
- Basit, Abdul, et al.
(författare)
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Structural Modeling on the Determinants of Effectiveness of SOPs Containing COVID-19 in Mass Gatherings
- 2021
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Ingår i: Frontiers in Psychology. - : Frontiers Media SA. - 1664-1078. ; 12
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Tidskriftsartikel (refereegranskat)abstract
- The study is aimed to analyze the determinants of the effectiveness of SOPs in mass gatherings for containing COVID-19. The overall design of the study involves a literature review, data collection by field survey, structural modeling, and analysis. The study is built on the experts' opinion of a focus group (representing people who recently participated in and are responsible for mass gatherings). The study uses the discussion of the literature review to identify the determinants, interpretive structural modeling (ISM) for developing and analyzing a structural model, and Matrice d'Impacts Croises Multiplication Appliquée a un Classement (MICMAC) for corroboration of results of the ISM/classification of determinants. From the literature review, a list of determinants is generated and verified by a panel of experts. The results of the ISM revealed that the determinants “legal environment of the country,” “practicability of SOPs,” “perceived benefit of adapting SOPs,” and “possibilities of avoiding gathering” occupied the top of the model, therefore, they are less critical determinants, whereas “nature of gathering” occupied the bottom of the model, and is thus the most critical determinant. The remaining determinants form the middle of the model, and are therefore moderately severe. The results of MICMAC show that the determinant “perceived benefit of adapting SOPs” is dependent, “nature of gathering” is independent, and all others are linked. The results of MICMAC implicitly substantiate the findings of the ISM. The overall results of the study show that “nature of gathering” is the key determinant. This research does not require a priori theory since it is a theory-building study that uses an inductive approach. It is based on real data and it is useful for local authorities, organizers, participants (attendees/visitors) of mass gatherings, health officials/regulators, researchers, and the community at large. This study has fundamental importance for planning and preparing for such events while ensuring the minimum risk of COVID-19 transmission.
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| 10. |
- Cole, John W, et al.
(författare)
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Genetics of the thrombomodulin-endothelial cell protein C receptor system and the risk of early-onset ischemic stroke.
- 2018
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Ingår i: PloS one. - : Public Library of Science (PLoS). - 1932-6203. ; 13:11
-
Tidskriftsartikel (refereegranskat)abstract
- Polymorphisms in coagulation genes have been associated with early-onset ischemic stroke. Here we pursue an a priori hypothesis that genetic variation in the endothelial-based receptors of the thrombomodulin-protein C system (THBD and PROCR) may similarly be associated with early-onset ischemic stroke. We explored this hypothesis utilizing a multi-stage design of discovery and replication.Discovery was performed in the Genetics-of-Early-Onset Stroke (GEOS) Study, a biracial population-based case-control study of ischemic stroke among men and women aged 15-49 including 829 cases of first ischemic stroke (42.2% African-American) and 850 age-comparable stroke-free controls (38.1% African-American). Twenty-four single-nucleotide-polymorphisms (SNPs) in THBD and 22 SNPs in PROCR were evaluated. Following LD pruning (r2≥0.8), we advanced uncorrelated SNPs forward for association analyses. Associated SNPs were evaluated for replication in an early-onset ischemic stroke population (onset-age<60 years) consisting of 3676 cases and 21118 non-stroke controls from 6 case-control studies. Lastly, we determined if the replicated SNPs also associated with older-onset ischemic stroke in the METASTROKE data-base.Among GEOS Caucasians, PROCR rs9574, which was in strong LD with 8 other SNPs, and one additional independent SNP rs2069951, were significantly associated with ischemic stroke (rs9574, OR = 1.33, p = 0.003; rs2069951, OR = 1.80, p = 0.006) using an additive-model adjusting for age, gender and population-structure. Adjusting for risk factors did not change the associations; however, associations were strengthened among those without risk factors. PROCR rs9574 also associated with early-onset ischemic stroke in the replication sample (OR = 1.08, p = 0.015), but not older-onset stroke. There were no PROCR associations in African-Americans, nor were there any THBD associations in either ethnicity.PROCR polymorphisms are associated with early-onset ischemic stroke in Caucasians.
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| 11. |
- Iqbal, Asif, et al.
(författare)
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An experimental forensic testbed : Attack-based digital forensic analysis of WAMPAC applications
- 2018
-
Ingår i: IET Conference Publications. - Croatia : Institution of Engineering and Technology (IET).
-
Konferensbidrag (refereegranskat)abstract
- Forensic Investigations; Forensic Evidence Substation; Wide Area Monitoring Protection and Control; PMUs etc. Abstract The global trend is to go digital, in other words, go 'smart'. Like the rest of the world, power sector is also getting smarter hence the term smart power grids and substations. Such capability comes at the price of heightened risk of potential cyber threats to substations. With all such potential risks, we must be able to trace back and attribute any potential threats to its root. In this paper, we're exploring substations to find potential evidence in case a forensic investigation becomes a necessity. Moreover, a forensic experimental testbed is proposed for digital forensic analysis. Finally, a mapping of attack-based forensic evidence is presented.
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| 12. |
- Iqbal, Asif, et al.
(författare)
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Digital Forensic Analysis of Industrial Control Systems Using Sandboxing : A Case of WAMPAC Applications in the Power Systems
- 2019
-
Ingår i: Energies. - : MDPI. - 1996-1073. ; 12:13
-
Tidskriftsartikel (refereegranskat)abstract
- In today's connected world, there is a tendency of connectivity even in the sectors which conventionally have been not so connected in the past, such as power systems substations. Substations have seen considerable digitalization of the grid hence, providing much more available insights than before. This has all been possible due to connectivity, digitalization and automation of the power grids. Interestingly, this also means that anybody can access such critical infrastructures from a remote location and gone are the days of physical barriers. The power of connectivity and control makes it a much more challenging task to protect critical industrial control systems. This capability comes at a price, in this case, increasing the risk of potential cyber threats to substations. With all such potential risks, it is important that they can be traced back and attributed to any potential threats to their roots. It is extremely important for a forensic investigation to get credible evidence of any cyber-attack as required by the Daubert standard. Hence, to be able to identify and capture digital artifacts as a result of different attacks, in this paper, the authors have implemented and improvised a forensic testbed by implementing a sandboxing technique in the context of real time-hardware-in-the-loop setup. Newer experiments have been added by emulating the cyber-attacks on WAMPAC applications, and collecting and analyzing captured artifacts. Further, using sandboxing for the first time in such a setup has proven helpful.
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| 13. |
- Iqbal, Asif, et al.
(författare)
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Identification of Attack-based Digital Forensic Evidences for WAMPAC Systems
- 2018
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Ingår i: Proceedings - 2018 IEEE International Conference on Big Data, Big Data 2018. - Seattle, Washington, USA : IEEE conference proceedings. - 9781538650356 ; , s. 3078-3086
-
Konferensbidrag (refereegranskat)abstract
- Power systems domain has generally been very conservative in terms of conducting digital forensic investigations, especially so since the advent of smart grids. This lack of research due to a multitude of challenges has resulted in absence of knowledge base and resources to facilitate such an investigation. Digitalization in the form of smart grids is upon us but in case of cyber-attacks, attribution to such attacks is challenging and difficult if not impossible. In this research, we have identified digital forensic artifacts resulting from a cyber-attack on Wide Area Monitoring, Protection and Control (WAMPAC) systems, which will help an investigator attribute an attack using the identified evidences. The research also shows the usage of sandboxing for digital forensics along with hardware-in-the-loop (HIL) setup. This is first of its kind effort to identify and acquire all the digital forensic evidences for WAMPAC systems which will ultimately help in building a body of knowledge and taxonomy for power system forensics.
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| 14. |
- Iqbal, Asif, et al.
(författare)
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Intelligent analysis of digital evidences in large-scale logs in power systems attributed to the attacks
- 2018
-
Ingår i: Proceedings - 2018 IEEE International Conference on Big Data, Big Data 2018. - 9781538650356 ; , s. 3087-3092
-
Konferensbidrag (refereegranskat)abstract
- Smart grid improves and revolutionizes the way how energy is generated, distributed and consumed. Despite utilization of such technologies for better life of end-users and communities, there might be outlier events happening that will introduce disturbance to the smart grids. To mitigate impact from such events in power grid, particularly in Wide Area Monitoring Protection and Control (WAMPAC) has been introduced for mitigation and prevention of large disruption and extreme events. Large network of interconnected devices is being monitored through WAMPAC sub-system to avoid major events with negative impact through analysis of system-wide contextual information. The assessment of the state is being made based on the data from Phasor Measurement Unit (PMUs) collected and processed in the Phasor Data Concentrator (PDC). There is an enormous amount of Machine-to-Machine (M2M) communication that the system has to analyze. However, blackout prediction and mitigation is done using measurements data and does not necessarily focus on more high level adversarial events. This paper proposes an ongoing research into timely detection of adversarial attack on the power grid. During the experimental phase, authentication attack scenario was successfully executed on power substation setup. Further, framework for intelligent identification of digital evidences related to attack was suggested unveiling possibility for crime investigations preparedness.
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| 15. |
- Khan, Wali Ullah, et al.
(författare)
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Integration of NOMA with Reflecting Intelligent Surfaces : A Multi-cell Optimization with SIC Decoding Errors
- 2023
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Ingår i: IEEE Transactions on Green Communications and Networking. - : Institute of Electrical and Electronics Engineers (IEEE). - 2473-2400. ; 7:3, s. 1554-1565
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Tidskriftsartikel (refereegranskat)abstract
- Reflecting intelligent surfaces (RIS) has gained significant attention due to its high energy and spectral efficiency in next-generation wireless networks. By using low-cost passive reflecting elements, RIS can smartly reconfigure the signal propagation to extend the wireless communication coverage. On the other hand, non-orthogonal multiple access (NOMA) has been proven as a key air interface technique for supporting massive connections over limited resources. Utilizing the superposition coding and successive interference cancellation (SIC) techniques, NOMA can multiplex multiple users over the same spectrum and time resources by allocating different power levels. This paper proposes a new optimization scheme in a multi-cell RIS-NOMA network to enhance the spectral efficiency under SIC decoding errors. In particular, the power budget of the base station and the transmit power of NOMA users while the passive beamforming of RIS is simultaneously optimized in each cell. Due to objective function and quality of service constraints, the joint problem is formulated as non-convex, which is very complex and challenging to obtain the optimal global solution. To reduce the complexity and make the problem tractable, we first decouple the original problem into two sub-problems for power allocation and passive beamforming. Then, the efficient solution of each sub-problem is obtained in two-steps. In the first-step of For power allocation sub-problem, we transform it to a convex problem by the inner approximation method and then solve it through a standard convex optimization solver in the second-step. Accordingly, in the first-step of passive beamforming, it is transformed into a standard semi-definite programming problem by successive convex approximation and different of convex programming methods. Then, penalty based method is used to achieve a Rank-1 solution for passive beamforming in second-step. Numerical results demonstrate the benefits of the proposed optimization scheme in the multi-cell RIS-NOMA network.
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| 16. |
- Khan, Wali Ullah, et al.
(författare)
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Rate Splitting Multiple Access for Next Generation Cognitive Radio Enabled LEO Satellite Networks
- 2023
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Ingår i: IEEE Transactions on Wireless Communications. - : Institute of Electrical and Electronics Engineers (IEEE). - 1536-1276. ; , s. 1-
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Tidskriftsartikel (refereegranskat)abstract
- Low Earth Orbit (LEO) satellite communication (SatCom) has drawn particular attention recently due to its high data rate services and low round-trip latency. It has low launching and manufacturing costs than Medium Earth Orbit (MEO) and Geostationary Earth Orbit (GEO) satellites. Moreover, LEO SatCom has the potential to provide global coverage with a high-speed data rate and low transmission latency. However, the spectrum scarcity might be one of the challenges in the growth of LEO satellites, impacting severe restrictions on developing ground-space integrated networks. To address this issue, cognitive radio and rate splitting multiple access (RSMA) are the two emerging technologies for high spectral efficiency and massive connectivity. This paper proposes a cognitive radio enabled LEO SatCom using RSMA radio access technique with the coexistence of GEO SatCom network. In particular, this work aims to maximize the sum rate of LEO SatCom by simultaneously optimizing the power budget over different beams, RSMA power allocation for users over each beam, and subcarrier user assignment while restricting the interference temperature to GEO SatCom. The problem of sum rate maximization is formulated as non-convex, where the global optimal solution is challenging to obtain. Thus, an efficient solution can be obtained in three steps: first we employ a successive convex approximation technique to reduce the complexity and make the problem more tractable. Second, for any given resource block user assignment, we adopt KarushKuhnTucker (KKT) conditions to calculate the transmit power over different beams and RSMA power allocation of users over each beam. Third, using the allocated power, we design an efficient algorithm based on the greedy approach for resource block user assignment. For comparison, we propose two suboptimal schemes with fixed power allocation over different beams and random resource block user assignment as the benchmark. Numerical results provided in this work are obtained based on the Monte Carlo simulations, which demonstrate the benefits of the proposed optimization scheme compared to the benchmark schemes.
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| 17. |
- Mahmood, Asif, et al.
(författare)
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Unleashing the barriers to CSR implementation in the sme sector of a developing economy : A thematic analysis approach
- 2021
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Ingår i: Sustainability (Switzerland). - : MDPI AG. - 2071-1050. ; 13:22
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Tidskriftsartikel (refereegranskat)abstract
- The notion of corporate social responsibility (CSR) from the perspective of sustainability has been a part of the academic discussion in recent years. Different studies have also highlighted the inability of the SME sector to implement a CSR plan to achieve sustainability objectives. How-ever, why this sector is unable to adopt CSR is something that has not been properly attended by contemporary scholars. Against this backdrop, the current study aims to explore the major barriers that inhibit SMEs from implementing CSR and sustainability measures. The current study data were collected from the senior management of different SMEs in Pakistan and were analyzed using thematic analysis to extract different patterns of themes. The results unveil that the “lack of finances” is the most critical barrier for CSR, followed by the “lack of CSR knowledge.” The implications for theory and practice are also discussed in detail.
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| 18. |
- Majid, Farzana, et al.
(författare)
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Exploration of magnesium based MgX2O4 (X = Rh, Bi) spinels for thermoelectric applications using density functional theory (DFT)
- 2020
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Ingår i: Journal of Materials Research and Technology. - : Elsevier. - 2238-7854. ; 9:3, s. 6135-6142
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Tidskriftsartikel (refereegranskat)abstract
- By using WIEN2k code, we investigated the mechanical and thermoelectric properties of magnesium based MgX2O4 (X = Rh and Bi) spinels. To compute the mechanical behavior of MgX2O4 (X = Rh and Bi), the Perdew-Bruke-Ernzerhof (PBEsol) flavor of generalized gradient approximation is used. From structural optimization, ground state lattice constant (a0) show a comparable with the previously evaluated theoretical and experimental values. The Born stability criterion represents that the investigated spinels are stable in the cubic phase and their ductile behaviors are observed by calculating Pugh’s ratio as well as Poisson ratio. Besides, thermodynamic behavior is concluded in terms of the Debye temperature. To investigate the electronic and thermoelectric behavior, the modified Becke and Johnson (mBJ) potential is employed. Finally, we investigated the thermoelectric behavior to represent the importance of studied spinels in thermoelectric appliances by calculating the figure of merit (ZT). High values of the See-beck coefficient and ZT at room temperature explores the potential of the studied spinels in thermoelectric devices.
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| 19. |
- Muhammad, Imran, et al.
(författare)
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3D porous sulfur-graphdiyne with splendid electrocatalytic and energy storage application
- 2023
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Ingår i: Materials Today Chemistry. - : Elsevier. - 2468-5194. ; 34
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Tidskriftsartikel (refereegranskat)abstract
- The blooming emergence of graphdiyne featuring embellished sp-hybridized carbons has been highly alluring for electrocatalysis and ion storage. Here, a porous 3D material sulfur-graphdiyne (3D-SGDY) is theoretically designed comprising butadiyne chains and sulfur as a heteroatom, owing a stable cubic skeleton and an atypical tuneable indirect bandgap. Compared to sp2-bonded carbon materials, the existence of sp-bonded carbon in 3D-SGDY tuned the direction of organic reactions leading to a single carbon product with numerous storage sites for the metal ions. Anchoring a single Cu atom in 3D-SGDY, we realize the unique Cu–C (3D-SGDY) chemical bonds exhibiting unconventional selectivity for CO2 reduction. The Cu–C bond in 3D-SGDY predominantly forms the *OCHO intermediates in lieu of *COOH and provides an active charge deportation channel during the reduction process of CO2 into CH4 product. Additionally, the porous structure reveals its astounding potential as an anode material by facilitating rapid transportation with a very low diffusion barrier of 0.06 eV and an ultrahigh capacity of 1826.4 mAhg−1 for Ca-ions. This work not only provides the 3D prototype of GDY but also administers the atomic level selectivity for CO2RR and high-performance Ca-ion batteries.
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| 20. |
- Naeem, Usman, et al.
(författare)
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Unleashing the potential of NiO@V2CTx MXene-derived electrocatalyst for hydrogen and oxygen evolution
- 2024
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Ingår i: International journal of hydrogen energy. - : Elsevier. - 0360-3199 .- 1879-3487. ; 59, s. 635-644
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Tidskriftsartikel (refereegranskat)abstract
- Harnessing the power of sustainable hydrogen energy requires the development of efficient, non-precious metal electrocatalysts for water splitting. 2D materials, particularly MXenes offer potential solutions, given their unique attributes like metal-like conductivity, hydrophilic surfaces, and rich chemistry. In this research, we synthesized NiO@V2CTx, a novel bifunctional electrocatalyst with a synergistic three-layer structure. This composite merge the tunable properties of V2CTx MXene with the catalytic capability of NiO nanoparticles. By varying the NiO concentrations, we synthesized four distinct composites, each showing unique electrochemical characteristics. The 7.5 % composite (VN3), in particular, exhibited superior electrochemical performance with overpotentials of 253 mV (HER) and 346 mV (OER), along with Tafel slopes of 104 mV/dec and 91 mV/dec, respectively, to reach a benchmark current density of 10 mAcm  2. However, higher concentrations lead to blockage of active sites that diminish performance. The low charge transfer resistance (11.33 omega) of the Niadsorbed V2CTx MXene contributes to the rapid reaction kinetics and enhanced performance. The composite displayed exceptional durability, indicating its potential for long-term application. It maintained a high current retention of 93 %, indicating outstanding electrochemical stability. Moreover, the cell configuration using NiO@V2CTx//NiO@V2CTx requires a cell voltage of 1.75 V for overall water splitting. In essence, the VN3 composition was found to be the "sweet spot" for achieving optimal electrochemical performance, potentially offering benefits like high catalytic activity, enhanced conductivity, and improved durability.
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| 21. |
- Shaukat, Muhammad Zeeshan, et al.
(författare)
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Analyzing the Stressors for Frontline Soldiers Fighting Against Coronavirus Disease 2019 Pandemic
- 2021
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Ingår i: Frontiers in Psychology. - : Frontiers Media SA. - 1664-1078. ; 12
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Tidskriftsartikel (refereegranskat)abstract
- This study aimed to analyze stressors to which medical staff is vulnerable due to the coronavirus disease 2019 (COVID-19) pandemic. It also imposes a hierarchy on complex relations among stressors for excavating underlying structure and builds a model of interrelationships contrasting reality. The design of this study comprises a literature survey, data collection from primary sources, and analysis. Stressors have been explored from within current published/unpublished literature and validated by experts through approval vote. Data were collected from the focus group (panel of experts), and interpretive structural modeling (ISM) was used as the research methodology. Findings of ISM are avowed through “cross-impact matrix multiplication applied to classification” (MICMAC) analysis. As a result of the literature survey, a list of stressors was generated, and a total of 19 stressors qualified as representative of the phenomenon. The results of ISM show that two stressors (i.e., “unavailability of proper personal protective equipment (PPE)” and “lack of proper communication”) emerged as the most critical stressors since they occupy the bottom of the model, whereas, four stressors (i.e., “anxious about isolation/quarantine,” “subject to violent crimes,” “feeling frustrated and powerless,” and “exhausting shifts/hours without clear end”) are relatively less critical since they occupy the top of the model. The rest of the stressors occupy the middle of the model and therefore, have moderate-severe effects on frontline soldiers. The results of MICMAC show that the stressor “subject to violent crimes” is classified in the dependent cluster and the remaining fall in the linkage cluster but no stressor falls in independent and autonomous. Overall results indicate that all stressors are relevant to the phenomenon under this study, but they are currently not settled. This study is invaluable for policymakers, frontline soldiers, researchers, the international community, and society since it provides a lot of new information that is helpful in refining strategies and combating influential stressors.
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| 22. |
- Abbafati, Cristiana, et al.
(författare)
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- 2020
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Tidskriftsartikel (refereegranskat)
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