Wen Zeng
Chongqing University
Morphology (linguistics)NanorodNanomaterialsTransmission electron microscopyAdsorptionSpecific surface areaHydrothermal circulationChemical physicsNanotechnologyNanostructureMaterials scienceScanning electron microscopeHydrothermal synthesisChemical engineeringDopingPorosityCalcinationNanowireNon-blocking I/OHeterojunctionMicrostructure
274Publications
48H-index
5,425Citations
Publications 287
Newest
#1Meng Hao (Chongqing University)H-Index: 1
#2Wen Zeng (Chongqing University)H-Index: 48
Last. Yanqiong Li (Chongqing University)H-Index: 24
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Abstract null null Based on the first-principles method of density functional theory (DFT), the adsorption properties, bond strength and electronic structure of two sulfur-containing compounds (H2S and CH3SH) in oil and natural gas were analyzed by means of adsorption energy, partial density of states (PDOS) and charge difference density. The adsorption energy of H2S and CH3SH molecules on the LB site of Fe (110) surface is the lowest. Their adsorption energies are −2.88 eV and −3.13 eV, respect...
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#6Dewen Hou (BSU: Boise State University)H-Index: 13
Abstract null null Metal ions pre-intercalated layered structure materials are considered as potential high performance cathodes for Mg-ion batteries (MIBs). Herein, metal ions pre-intercalation strategy of layered cathode for MIBs by using Li, Na, Al pre-intercalated V2O5 cathode as a carrier has been investigated and proposed based on first principle calculations. The pre-intercalation process is energetically favorable and metal ion pre-intercalation improves the electronic conductivity of V2...
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#1Jingdong Yang (Chongqing University)H-Index: 8
#2Jinxing Wang (Chongqing University)H-Index: 17
Last. Fusheng Pan (Chongqing University)H-Index: 63
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#1Jingdong Yang (Chongqing University)H-Index: 8
#2Jinxing Wang (Chongqing University)H-Index: 17
Last. Fusheng Pan (Chongqing University)H-Index: 63
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Rechargeable magnesium batteries (RMBs) are considered as potential alternative future energy-storage systems. However, due to the lack of a suitable cathode material, they face daunting challenges in practical applications. Herein, by density functional theory (DFT) calculations, it was found that the 1T phase of MoS2 is helpful for Mg-storage improvement due to the enrichment in Mg-storage active sites and good conductivity. It was also found that expanding the layer spacing of 1T MoS2 is bene...
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#1Yan Ma (SICNU: Sichuan Normal University)H-Index: 1
#2Guomei Mu (SICNU: Sichuan Normal University)H-Index: 1
Last. Wen Zeng (Chongqing University)H-Index: 48
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Developing catalysts with high intrinsic activity toward oxygen evolution reaction (OER) has paramount importance to meet the ever-increasing quest for sustainability demands for green energy solutions but challenging. Herein, a one-step synthesized hydrangea flower-like metal-organic framework (MOF) by dysprosium (Dy)-doped Fe-MOF is reported (Dy0.05Fe-MOF/NF). Impressively, the obtained electrocatalyst possesses optimal OER intrinsic activity, showing a low overpotential of 258 mV at 100 mA·cm...
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#1Yupeng LiuH-Index: 2
#2Qu ZhouH-Index: 19
Last. Wen Zeng (Chongqing University)H-Index: 48
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#1Meng Hao (Chongqing University)
#2Wen Zeng (Chongqing University)H-Index: 48
Abstract null null In this work, based on the first-principles method of density functional theory (DFT), the adsorption and dissociation paths of sulphide gas molecules on pure, vacancy-defective, Ni-doped and Cr-doped γ-Fe(1 1 1) surfaces have been studied systematically. The results show that H2S, COS, CH3SH can be spontaneously adsorbed on these four surfaces. Significant adsorption properties, changes in molecular structure and charge transfer indicate that chemical adsorption has taken pla...
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Abstract null null In this study, we explored the adsorption of three industrial toxic gases (Cl2, NO2, and NH3) on Ag3-WSe2 monolayers using density functional theory calculations. The possible application of Ag3-WSe2 as an industrial toxic gas sensor and adsorbent is discussed through our analyses of the density of states, adsorption energy, band structures, and charge transfer of the three gas molecules absorbed on the Ag3-WSe2 and WSe2 monolayers. The results show that the Ag3-WSe2 monolayer...
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#1Yupeng Liu (SWU: Southwest University)H-Index: 2
#2Qu Zhou (SWU: Southwest University)H-Index: 19
Last. Wen Zeng (Chongqing University)H-Index: 48
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Abstract null null In this paper, we explored the adsorption behavior of four kinds of characteristic gases dissolved in oil on Cr doped GaN monolayer. The results show that the Cr-GaN monolayer exhibits satisfactory adsorption performance for H2, CO, C2H4 and C2H2 molecules. The adsorption energies of H2 (−0.326 eV), CO (−0.7 eV), C2H4 (−0.893 eV) and C2H2 (−0.751 eV) manifest the adsorptions can occur spontaneously. According to Hirshfeld charge analysis, Cr-GaN monolayer as an electron donor ...
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#1Yiming Liao (SWU: Southwest University)H-Index: 2
#2Qu Zhou (SWU: Southwest University)H-Index: 19
Last. Wen Zeng (Chongqing University)H-Index: 48
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Abstract Transition metal doping plays a significant role to regulate the electronic properties of the material substrates. In this paper, the effect of Cr dopant on InP3 monolayer and its adsorption performances to H2, C2H2 and CH4 were studied to explore the application potential of Cr-InP3 for three dissolved gases in transformer oil with density functional theory (DFT). The adsorption behavior of intrinsic and Cr-doped InP3 monolayers to three gas molecules were simulated in terms of the cha...
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