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| 2. |
- Keasar, Chen, et al.
(författare)
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An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12
- 2018
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Ingår i: Scientific Reports. - : NATURE PUBLISHING GROUP. - 2045-2322. ; 8
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Tidskriftsartikel (refereegranskat)abstract
- Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas and collaborations. In 2012 a web-based effort called WeFold, was initiated to promote collaboration within the CASP community and attract researchers from other fields to contribute new ideas to CASP. Members of the WeFold coopetition (cooperation and competition) participated in CASP as individual teams, but also shared components of their methods to create hybrid pipelines and actively contributed to this effort. We assert that the scale and diversity of integrative prediction pipelines could not have been achieved by any individual lab or even by any collaboration among a few partners. The models contributed by the participating groups and generated by the pipelines are publicly available at the WeFold website providing a wealth of data that remains to be tapped. Here, we analyze the results of the 2014 and 2016 pipelines showing improvements according to the CASP assessment as well as areas that require further adjustments and research.
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| 3. |
- Li, Danqin, et al.
(författare)
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n-Doping of photoactive layer in binary organic solar cells realizes over 18.3% efficiency
- 2022
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Ingår i: Nano Energy. - : ELSEVIER. - 2211-2855 .- 2211-3282. ; 96
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Tidskriftsartikel (refereegranskat)abstract
- Electronic doping of conjugated semiconductor plays a critical role in the fabrication of high efficiency organic optoelectronic devices. Here, we report an organic solar cell (OSC) by doping n-type DMBI-BDZC into one host binary bulk heterojunction (BHJ) photoactive layer comprised of a polymer donor PM6 and a nonfullerene acceptor Y6. The resulting champion device yields a significantly improved power conversion efficiency from 17.17% to 18.33% with an impressive fill factor of 80.20%. It is found that the electrically doped photoactive layer exhibits enhanced and balanced charge carrier mobilities, more effective exciton dissociation, longer carrier lifetime, and suppressed charge recombination with smaller energy loss. The dopant molecule DMBIBDZC also act as a surface morphology modifier of the photoactive layer with enhanced charge transport. This work demonstrates that manipulation of charge transport via adding a low concentration dopant into photoactive layer is a promising approach for further improvement of BHJ OSC performance.
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| 4. |
- Xiong, Shaobing, et al.
(författare)
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Additive-Induced Synergies of Defect Passivation and Energetic Modification toward Highly Efficient Perovskite Solar Cells
- 2021
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Ingår i: Advanced Energy Materials. - : WILEY-V C H VERLAG GMBH. - 1614-6832 .- 1614-6840. ; 11:29
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Tidskriftsartikel (refereegranskat)abstract
- Defect passivation via additive and energetic modification via interface engineering are two effective strategies for achieving high-performance perovskite solar cells (PSCs). Here, the synergies of pentafluorophenyl acrylate when used as additive, in which it not only passivates surface defect states but also simultaneously modifies the energetics at the perovskite/Spiro-OMeTAD interface to promote charge transport, are shown. The additive-induced synergy effect significantly suppresses both defect-assisted recombination and interface carrier recombination, resulting in a device efficiency of 22.42% and an open-circuit voltage of 1.193 V with excellent device stability. The two photovoltaic parameters are among the highest values for polycrystalline CsFormamidinium/Methylammonium (FAMA)/FAMA based n-i-p structural PSCs using low-cost silver electrodes reported to date. The findings provide a promising approach by choosing the dual functional additive to enhance efficiency and stability of PSCs.
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| 5. |
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| 6. |
- Abbafati, Cristiana, et al.
(författare)
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- 2020
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Tidskriftsartikel (refereegranskat)
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| 7. |
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| 8. |
- Li, Jingchen, et al.
(författare)
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The inhibiting effect of Re-rich layer on the interdiffusion between NiAl and Ni3Al-based superalloy and its degradation
- 2023
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Ingår i: Journal of Alloys and Compounds. - : ELSEVIER SCIENCE SA. - 0925-8388 .- 1873-4669. ; 957
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Tidskriftsartikel (refereegranskat)abstract
- A NiAl alloy/ Ni3Al-based superalloy diffusion couple with an electroplated NiRe layer was prepared. High-temperature interdiffusion performance of the diffusion couple was analyzed at 1100 degrees C under argon at-mosphere and compared with that of the blank group without NiRe layer. A Re-based diffusion barrier formed during the diffusion. The microstructural instability of the superalloy was found to be alleviated by the Re-based diffusion barrier, and the detailed microstructure of the diffusion barrier was identified to be Re-rich a phases and Mo-rich << phase detected by TEM. The chemical diffusion coefficient of Al was reduced by about two orders of magnitude with the modification of the Re-based diffusion barrier. A microstructural degradation of the Re-based barrier layer was observed after high-temperature diffusion of 300 h, which can be attributed to the internal diffusion of Mo.(c) 2023 Elsevier B.V. All rights reserved.
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| 9. |
- Li, Peibo, et al.
(författare)
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Three-dimensional flow structures and droplet-gas mixing process of a liquid jet in supersonic crossflow
- 2019
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Ingår i: Aerospace Science and Technology. - : Elsevier BV. - 1270-9638. ; 90, s. 140-156
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Tidskriftsartikel (refereegranskat)abstract
- The mixing process of a liquid jet in supersonic crossflow with a Mach number of 2.1 was investigated numerically using large eddy simulation (LES) based on the Eulerian-Lagrangian method. The gas phase was described using the Navier-Stokes equations and the liquid phase was represented using discrete droplets, which were injected and tracked in the computational domain individually according to Newton's second law of motion. The KH (Kelvin-Helmholtz) breakup model was used to calculate the droplet stripping process, and the secondary breakup process was simulated by coupling the RT (Rayleigh-Taylor) breakup model and the TAB (Taylor Analogy Breakup) model. Two-way coupling was enforced to consider the momentum and energy exchange between the gas and the droplets. It was found that the LES predicted spray characteristics, including spray penetration and cross-sectional distribution, agree reasonably well with the experiment. The major gas flow structures such as the bow shock, the large-scale vortices, and the recirculation zones were replicated successfully in the simulations. It was found that the gas flow structures have a significant effect on the mixing process of the droplets. The simulation results revealed that two sets of counter-rotating vortex pair (CVP) exist in the gas-liquid mixing region. Under the influence of CVP, part droplets were transported to the near wall region and subsequently to both sides of the core spray region. The formation mechanism of the CVP was analyzed by comparing the pressure gradient and the source term of droplets in the Navier-Stokes equations. Differences of the mixing process of liquid jet in supersonic crossflow, gas jet in supersonic crossflow and liquid jet in incompressible crossflow were identified.
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| 10. |
- Liang, Lijun, et al.
(författare)
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Theoretical Evaluation on Potential Cytotoxicity of Graphene Quantum Dots
- 2016
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Ingår i: ACS Biomaterials Science & Engineering. - : AMER CHEMICAL SOC. - 2373-9878. ; 2:11, s. 1983-1991
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Tidskriftsartikel (refereegranskat)abstract
- Owing to unique morphology, ultrasmall lateral sizes, and exceptional properties, graphene quantum dots (GQDs) hold great potential in many applications, especially in the field of electrochemical biosensors, bioimaging, drug delivery, et cetera. Its biosafety and potential cytotoxicity to human and animal cells has been a growing concern in recent years. In this work, the potential cytotoxicity of GQDs was evaluated by molecular dynamics simulations. Our simulation demonstrates that small size GQDs could easily permeate into the lipid membrane in a vertical way. It is relatively difficult to permeate into the lipid membrane for GQDs that are larger than GQD61 on the nanosecond time-scale. The thickness of the POPC membrane could even be affected by the small size of GQDs. Free energy calculations revealed that the free energy barrier of GQD permeation through the lipid membrane could greatly change with the change of GQD size. Under high GQD concentration, the GQD molecules could rapidly aggregate in water but disaggregate after entering into the membrane interior. Moreover, high concentrations of GQDs could induce changes in the structure properties and diffusion properties of the lipid bilayer, and it may affect the cell signal transduction. However, GQDs with relatively small size are not large enough to mechanically damage the lipid membrane. Our results suggest that the cytotoxicity of GQDs with small size is low and may be appropriate for biomedical application.
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| 11. |
- Lindqvist, Gunilla, 1957-, et al.
(författare)
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Nursing students' perceptions of their verbal and social interaction skills in Sweden and China during their first semester
- 2022
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Ingår i: Quality Advancement in Nursing Education QANEAFI. - : bepress. - 2368-6669. ; 8:1, s. 1-20
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Tidskriftsartikel (refereegranskat)abstract
- Aim: This study aimed to investigate the similarities and differences related to verbal and social interaction skills between nursing students attending universities in Sweden and China, two countries with different educational systems, during the students’ first semester.Background: Nurses need a high level of interaction skills in order to interact effectively with patients and their families. Thus, practical nursing education focusing on clinical skills is essential.Method: Students at one university in Sweden and two universities in China completed the Verbal and Social Interactions for Nursing Students (VSI-NS) questionnaire.Results: The students perceived ‘Building a caring relationship’ and ‘Caring towards health and well-being’ as the most frequently occurring and important types of caring interactions. The students perceived that talking with a patient about his/her feelings and thoughts was the least frequently occurring and least important type of caring interaction.Conclusion: The students appear to understand from the initial phase of their education that the caring relationship and the patients’ health and well-being will be the major focus of their role as nurses.
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