Institution
Henan Normal University
Education•Xinxiang, China•
About: Henan Normal University is a education organization based out in Xinxiang, China. It is known for research contribution in the topics: Catalysis & Ionic liquid. The organization has 10863 authors who have published 11077 publications receiving 166773 citations.
Topics: Catalysis, Ionic liquid, Adsorption, Photocatalysis, Graphene
Papers published on a yearly basis
Papers
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TL;DR: In this article, the authors explore the universality of electronic characteristics and photocatalyst applications of two-dimensional Janus transition metal dichalcogenides and find that the induced dipole moment, vibrational frequency, Rashba parameters, and direct-indirect band transition of monolayer $MXY$ are deeply associated with the atomic radius and electronegativity differences of chalinogen $X and $Y$ elements.
Abstract: Due to mirror symmetry breaking, two-dimensional Janus transition metal dichalcogenides $MXY$ ($M=\text{Mo,W}$; $X,Y=\text{S,Se,Te}$) present charming electronic properties. However, there have not been many related studies as of yet, and the intrinsic physical pictures are unclear. Here, we use first-principles calculations to explore the universality of electronic characteristics and photocatalyst applications of Janus $MXY$, finding that the induced dipole moment, vibrational frequency, Rashba parameters, and direct-indirect band transition of monolayer $MXY$ are deeply associated with the atomic radius and electronegativity differences of chalcogen $X$ and $Y$ elements. The internal electric field renders Janus $MXY$ the ideal photocatalysts. Moreover, the stacking-dependent on/off switch of the dipole moment further confirms that asymmetric Janus $MXY$ serves as a promising candidate for highly efficient photocatalysts within a broad range from infrared, visible, to ultraviolet light.
189 citations
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TL;DR: In this paper, the effect of cationic structures on the cellulose dissolution at a given temperature was investigated, and it was found that acidic protons on the heterocyclic rings of the cations are essential for the dissolution of cellulose in the ILs, but the van der Waals interaction of Cation with cellulose is not important.
188 citations
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TL;DR: In this paper, a battery pack with 32 high energy density cylindrical lithium-ion batteries is designed to comprehensively investigate the characteristics of an air cooling system, and a series of evaluation parameters, the air cooling performances of aligned, staggered, and cross battery packs are experimentally studied and compared at different air inlet velocities.
187 citations
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TL;DR: Simulation results provide insight into how a cosolvent affects the dissolution of cellulose in ILs and may motivate further experimental studies in related fields.
Abstract: Recently, it has been reported that addition of a cosolvent significantly influences solubility of cellulose in ionic liquids (ILs), but little is known about the influence mechanism of the cosolvent on the molecular level. In this work, four kinds of typical molecular solvents (dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), CH3OH, and H2O) were used to investigate the effect of cosolvents on cellulose dissolution in [C4mim][CH3COO] by molecular dynamics simulations and quantum chemistry calculations. It was found that dissolution of cellulose in IL/cosolvent systems is mainly determined by the hydrogen bond interactions between [CH3COO]− anions and the hydroxyl protons of cellulose. The effect of cosolvents on the solubility of cellulose is indirectly achieved by influencing such hydrogen bond interactions. The strong preferential solvation of [CH3COO]− by the protic solvents (CH3OH and H2O) can compete with the cellulose–[CH3COO]− interaction in the dissolution process, resulting in decreased c...
187 citations
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TL;DR: In this paper, the first-principles methods based on density functional theory (DFT) were further suggested as efficient bifunctional catalysts for both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER).
186 citations
Authors
Showing all 10953 results
Name | H-index | Papers | Citations |
---|---|---|---|
Hua Zhang | 163 | 1503 | 116769 |
Jie Wu | 112 | 1537 | 56708 |
Peng Wang | 108 | 1672 | 54529 |
Lei Liu | 98 | 2041 | 51163 |
Lixia Zhang | 93 | 351 | 47817 |
Zhongwei Chen | 92 | 511 | 33700 |
Wei Chen | 90 | 938 | 35799 |
Zhiguo Ding | 88 | 817 | 35162 |
Xiaolong Wang | 81 | 966 | 31455 |
Junhua Li | 77 | 480 | 21626 |
Jiujun Zhang | 76 | 276 | 39624 |
Lei Liao | 75 | 276 | 18815 |
Peng Xu | 75 | 1151 | 25005 |
Wei Wang | 75 | 1167 | 23558 |
Tony D. James | 73 | 435 | 21605 |