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| 2. |
- Jia, Lijun, et al.
(författare)
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Crystal Growth of Salicylic Acid in Organic Solvents
- 2017
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Ingår i: Crystal Growth & Design. - : American Chemical Society (ACS). - 1528-7483 .- 1528-7505. ; 17:6, s. 2964-2974
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Tidskriftsartikel (refereegranskat)abstract
- The crystal growth rate of salicylic acid has been determined by seeded isothermal desupersaturation experiments in different organic solvents (methanol, acetone, ethyl acetate, and acetonitrile) and at different temperatures (10, 15, 20, and 25 °C). In situ ATR-FTIR spectroscopy and principal component analysis (PCA) were employed for the determination of solution concentration. Activity coefficient ratios are approximately accounted for in the driving force determination. The results show that the dependence of the growth rate on the solvent at equal driving force varies with temperature; e.g., at 25 °C, the growth rate is highest in ethyl acetate and lowest in acetonitrile, while at 15 °C the growth rate is highest in acetonitrile. The growth rate data are further examined within the Burton Cabrera Franck (BCF) and the Birth and Spread (B+S) theories, and the results point to the importance of the surface diffusion step. Interfacial energies determined by fitting the B+S model to the growth rate data are well-correlated to interfacial energies previously determined from primary nucleation data.
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| 3. |
- Jia, Xue, et al.
(författare)
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CsPb(IxBr1-x)(3) solar cells
- 2019
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Ingår i: Science Bulletin. - : ELSEVIER. - 2095-9273. ; 64:20, s. 1532-1539
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Tidskriftsartikel (refereegranskat)abstract
- Owing to its nice performance, low cost, and simple solution-processing, organic-inorganic hybrid perovskite solar cell (PSC) becomes a promising candidate for next-generation high-efficiency solar cells. The power conversion efficiency (PCE) has boosted from 3.8% to 25.2% over the past ten years. Despite the rapid progress in PCE, the device stability is a key issue that impedes the commercialization of PSCs. Recently, all-inorganic cesium lead halide perovskites have attracted much attention due to their better stability compared with their organic-inorganic counterpart. In this progress report, we summarize the properties of CsPb(IxBr1-x)(3) and their applications in solar cells. The current challenges and corresponding solutions are discussed. Finally, we share our perspectives on CsPb(IxBr1-x)(3) solar cells and outline possible directions to further improve the device performance. (C) 2019 Science China Press. Published by Elsevier B.V. and Science China Press. All rights reserved.
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| 4. |
- Liang, Lijun, et al.
(författare)
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Theoretic Study on Dispersion Mechanism of Boron Nitride Nanotubes by Polynucleotides
- 2016
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Ingår i: SCIENTIFIC REPORTS. - : Nature Publishing Group. - 2045-2322. ; 6
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Tidskriftsartikel (refereegranskat)abstract
- Due to the unique electrical and mechanical properties of boron nitride nanotubes (BNNT), BNNT has been a promising material for many potential applications, especially in biomedical field. Understanding the dispersion of BNNT in aqueous solution by biomolecules is essential for its use in biomedical applications. In this study, BNNT wrapped by polynucleotides in aqueous solution was investigated by molecular dynamics (MD) simulations. Our results demonstrated that the BNNT wrapped by polynucleotides could greatly hinder the aggregation of BNNTs and improve the dispersion of BNNTs in aqueous solution. Dispersion of BNNTs with the assistance of polynucleotides is greatly affected by the wrapping manner of polynucleotides on BNNT, which mainly depends on two factors: the type of polynucleotides and the radius of BNNT. The interaction between polynucleotides and BNNT(9, 9) is larger than that between polynucleotides and BNNT(5, 5), which leads to the fact that dispersion of BNNT(9, 9) is better than that of BNNT(5, 5) with the assistance of polynucleotides in aqueous solution. Our study revealed the molecular-level dispersion mechanism of BNNT with the assistance of polynucleotides in aqueous solution. It shades a light on the understanding of dispersion of single wall nanotubes by biomolecules.
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| 5. |
- 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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| 6. |
- Liang, Lijun, et al.
(författare)
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Translocation mechanism of C-60 and C-60 derivations across a cell membrane
- 2016
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Ingår i: Journal of nanoparticle research. - : Springer. - 1388-0764 .- 1572-896X. ; 18:11
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Tidskriftsartikel (refereegranskat)abstract
- Carbon-based nanoparticles (NPs) such as fullerenes and nanotubes have been extensively studied for drug delivery in recent years. The permeation process of fullerene and its derivative molecules through membrane is essential to the utilization of fullerene-based drug delivery system, but the mechanism and the dynamics of permeation through cell membrane are still unclear. In this study, coarse-grained molecular dynamics simulations were performed to investigate the permeation process of functionalized fullerene molecules (ca. 0.72 nm) through the membrane. Our results show that single functionalized fullerene molecule in such nanoscale could permeate the lipid membrane in micro-second time scale. Pristine C-60 molecules prefer to aggregate into several small clusters while C60OH15 molecules could aggregate into one big cluster to permeate through the lipid membrane. After permeation of C-60 or its derivatives into membrane, all C-60 and C60OH15 molecules disaggregated and monodispersed in the lipid membrane.
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| 7. |
- Lu, Zhaohui, et al.
(författare)
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Microseismic Monitoring of Hydraulic Fracture Propagation and Seismic Risks in Shale Reservoir with a Steep Dip Angle
- 2022
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Ingår i: Natural Resources Research. - : Springer Nature. - 1520-7439 .- 1573-8981. ; 31:5, s. 2973-2993
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Tidskriftsartikel (refereegranskat)abstract
- Hydraulic fracturing is an essential technique to increase reservoir permeability and enhance the production of shale gas. When the dip angle is steep and geological condition is complex, hydraulic fractures may behave complexly, and research on this topic is critical for the shale gas industry. This paper reports a case study of hydraulic fracturing in a shale reservoir with a steep dip angle. We monitored pump data, including the injection rate and fluid pressure. Microseismic monitoring was also used to record the seismic events and monitor the hydraulic fracture propagation. Our results validated that microseismic monitoring is a feasible technique to monitor the hydraulic fracture propagation in shale reservoirs with steep dip angles. Moreover, the variation in depth of shale reservoir induces significant alternation of local in situ stress states, in which cases the fracture propagation pathway is more complex, and where microseismic monitoring is necessary to acquire the hydraulic fracture distribution. Besides, all sound sources, including quarries and rivers, should be eliminated during microseismic station arrangement to improve accuracy of microseismic signals. Moreover, the relationship between the maximum magnitude of seismic event and fluid injection volume was validated further in this study. Finally, unexpected faults and aquifers may affect hydraulic fracture propagation due to the steep dip angle of the target shale reservoir. Thus, a comprehensive geological survey is essential for better hydraulic fracturing design. Our results provide first-hand in situ hydraulic fracturing data and provide important implications for shale gas development, especially for those shale reservoirs with steep dip angles.
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| 8. |
- Lynch, Aisling, et al.
(författare)
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Crystal Growth of Salicylamide in Organic Solvents
- 2018
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Ingår i: Crystal Growth & Design. - : American Chemical Society (ACS). - 1528-7483 .- 1528-7505. ; 18:12, s. 7305-7315
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Tidskriftsartikel (refereegranskat)abstract
- Salicylamide was used as a model active pharmaceutical compound to investigate the crystal growth process and its associated kinetics. The impact of organic solvent, supersaturation, and temperature on the crystal growth was studied. The multiparticle crystal growth kinetics were determined using the seeded isothermal desupersaturation method and modeled using several growth rate equations, using different representations of the driving force. The results showed that crystal growth is significantly influenced by experimental conditions. Within the range of experimental conditions, the growth kinetics was affected strongly by the temperature and to a lesser degree by solvent choice. Comparison of the growth order parameter reveals a surface integration controlled growth. Higher than expected activation energies indicate desolvation as a governing process. A comparison of the influence of the solvent on the crystal growth of salicylamide against previously published approximate data at much higher supersaturation shows good agreement, but the influence on the interfacial energy is opposite to that observed for crystal nucleation. In a detailed comparison with crystal growth data of salicylic acid, there is a consistency in the influence of the solvent on the crystal growth of the two compounds. Salicylamide growth kinetics is more strongly affected by increasing temperature than salicylic acid.
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