
Adsorption and dissociation of H2S on Mo(1 0 0) surface by first ...
2014年2月15日 · Favorable adsorption configurations of H 2 S, HS on Mo (1 0 0) were characterized. All possible dissociation pathways of H 2 S dehydrogenation were distinguished and mapped. Decomposition of H 2 S on Mo (1 0 0) is facile. The difference of reaction barrier during the second dehydrogenation with and without hydrogen co-adsorption is minor.
Thermal Decomposition of H2S at Low Temperature on Mo …
2023年4月27日 · A high dispersion and sulfidation degree of MoS 2 phases with a promoter (Co or Ni) were prepared with the help of interaction between the layers of hydroxides (CoAl or NiAl) and Mo anions. The NiAlMo-s catalysts exhibited outstanding catalytic activity at 500 °C with H 2 yield reaching 49.6%.
First-principles study of H2S adsorption and dissociation on Mo(1 …
2015年4月15日 · Favorable adsorption configurations of H 2 S, SH, S and H on perfect and sulfur-covered Mo (1 1 0) surfaces are characterized. Preferable dissociation pathways of H 2 S dehydrogenation are determined. Mo (1 1 0) exhibits a large catalytic activity to decompose H 2 S, and surface atomic sulfur goes against the H–S bond-breaking.
Low-temperature growth of layered molybdenum disulphide with controlled ...
2016年2月23日 · Herein, we report a direct one-step low-temperature CVD process for the growth of high-quality layered MoS 2 with control of the cluster size and the nucleation sites using Mo (CO) 6 and hydrogen...
Mo-Doped FeS Mediated H2 Production from H2S via an In Situ …
Converting H2S into H2 via a cyclic sulfur looping scheme with reactivity enhancement by incorporating low-concentration Mo-dopant into FeS.
第一性原理研究H2S在Mo (100)表面的吸附和解离 - X-MOL
分析了H 2 S、HS、S和H在Mo (1 0 0)表面的吸附机理。 发现H 2 S 以-1.25、-1.03 和-0.92 eV 的吸附能分别吸附在桥、空心和顶部位置。 HS 在空心位、桥位和顶部位点被强烈化学吸收,吸附能分别为 -4.51、-4.08 和 -3.45 eV,硫和氢分别优选在空心位点和桥位点被吸收。 此外,H 2 S 在Mo (1 0 0) 上解离的势能分布已经通过爬升图像轻推松紧带方法构建。 研究了第一次 H 2 S 脱氢的四种可能的解离途径,反应势垒分别为 0.28、0.37、0.075、和 0.21 eV,而在有或没有氢共 …
Atomistic reaction mechanism of CVD grown MoS2 through MoO3 and H2S ...
2022年9月27日 · Chemical vapor deposition (CVD) through sulfidation of MoO 3 is one of the most important synthesis techniques to obtain large-scale and high-quality two-dimensional (2D) MoS 2. Recently, H 2 S...
Exposed Mo atoms induced by micropores enhanced H2S sensing …
2022年5月5日 · Compared with simple MoO 3 nanosheets, MoO 3 MPNFs show significantly enhanced sensing performance for H 2 S gas. On the one hand, the hierarchical porous structure of MoO 3 MPNFs is more conducive to gas diffusion into the material to enhance the response.
硫化水中的钼 (VI) 形态:,Geochimica et Cosmochimica Acta - X …
在硫化溶液中,钼酸盐分四步进行硫化,从而保存 MoVI 并生成四硫代钼酸盐:MoOxS4−x2− + H2S(aq) ⇄ MoOx−1S5−x2− + H2O(l), 1 ≤ x ≤ 4。 平衡常数 (K (4-x)(5-x)) 和速率常数 (k(4-x)(5-x)) 已通过紫外-可见光谱测量。
Adsorption and dissociation of H2S on Mo(1 0 0) surface by first ...
2014年2月1日 · Density-functional theory calculations had been used to investigate the adsorption and dissociation of H2S on Mo (1 0 0) surface. Adsorption mechanisms of H2S, HS, S and H on the Mo (1 0 0)...