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Electrocatalytic and photocatalytic performance of noble metal doped monolayer MoS2 in the hydrogen evolution reaction: A first principles study

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Nano Materials Science 2021年第1期3卷 89-94页

作者： Zheng Zhang Kai Chen Qiang Zhao Mei Huang Xiaoping Ouyang Beijing Key Laboratory of Passive Safety Technology for Nuclear Energy North China Electric Power UniversityBeijing102206China School of Nuclear Science and Engineering North China Electric Power UniversityBeijing102206China Northwest Institute of Nuclear Technology Xi'an710024China School of Materials Science and Engineering Xiangtan UniversityXiangtan411105China

To maximize the catalytic performance of MoS_(2) in the hydrogen evolution reaction,we investigate the electrocatalytic and photocatalytic performance of monolayer MoS_(2) doped with noble metal(Ag,Au,Cu,Pd,and Pt)using first principles calculation combined with the climbing image nudged elastic band *** find the band gap of the monolayer MoS_(2) is reduced significantly by the noble metal doping,which is unfavorable to improving its photocatalytic *** optical absorption coefficient shows that the doping does not increase the ability of the monolayer MoS_(2) to absorb visible *** monolayer MoS_(2) doped with the noble metal is not a potential photocatalyst for the hydrogen evolution reaction because the band edge position of the conduction band minimum is lower than-4.44 eV,the reduction potential of H^(+)/H_(2).Fortunately,the band gap reduction increases the electron transport performance of the monolayer MoS_(2),and the activation energy of water splitting is greatly reduced by the noble metal doping,especially the Pt *** the whole,noble metal doping can enhance the electrocatalytic performance of the monolayer MoS_(2).

关键词： Electrocatalytic Monolayer MoS2 noble metal doping Hydrogen evolution reaction First principles calculation

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Synthesis and in-situ noble metal modification of WO3·0.33H2O nanorods from a tungsten-containing mineral for enhancing NH3 sensing performance

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Chinese Chemical Letters 2020年第8期31卷 2037-2040页

作者： Tingting Li Yanbai Shen Sikai Zhao Pengfei Zhou Xiangxi Zhong Shuling Gao Dezhou Wei Fanli Meng School of Resources and Civil Engineering Northeastern UniversityShenyang 110819China School of Information Science and Engineering Northeastern UniversityShenyang 110819China State Environmental Protection Key Laboratory of Mineral metallurgical Resources Utilization and Pollution Control Wuhan University of Science and TechnologyWuhan 430081China

Ag-and Pt-doped WO3-0.33 H2O nanorods with high response and selectivity to NH3 were synthesized from a tungsten-containing mine ral of scheelite concentrate by a simple combined process,namely by a high pressure leaching method to obtain tungstate ions-containing leaching solution and followed by a hydrothermal method to prepare corresponding *** microstructure and NH3 sensing perfo rmance of the final products were investigated *** microstructure characte rization showed that the as-prepared WO3-0.33 H2 O nanorods had a hexagonal crystal structure,and Ag and Pt nanoparticles were uniformly distributed in the WO3-0.33 H2O nano *** sensing measurements indicated that Ag and Pt nanopa rticles not only could obviously enhance NH3 sensing properties in terms of response,selectivity as well as response/recovery time,but also could reduce the optimal operating temperature at which the highest response was *** highest responses of 22.4 and 47.6 for Agand Pt-doped WO3-0.33 H2O nanorods to 1000 ppm NH3 were obtained at 225 and 175℃,respectively,which were about four and eight folds higher than that of pure one at 250℃.The superior NH3 sensing properties are mainly ascribed to the catalytic activities of noble metals and the different work functions between noble metals and WO3-0.33 H2 O.

关键词： Scheelite concentrate noble metal doping WO3·0.33H2O nanorods NH3 Sensing mechanism

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