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32 积分 2025-03-25 加入
Gas sensors optimization design by Pd- and Pt-doped Janus-HfSSe monolayer for industrial emission: A DFT study
6天前
已完结
Detection of H2S, HF and H2 pollutant gases on the surface of penta-PdAs2 monolayer using DFT approach
6天前
已完结
A first principles theoretical study of the adsorption of SF6 decomposition gases on a cassiterite (110) surface
6天前
已完结
Computational investigation of hydrogen evolution reaction on transition metal-doped monolayer VSe2: A DFT approach
11天前
已完结
Using DFT to explore the sensitivity of WSe2/phosphorene heterostructure toward HCN
14天前
已完结
Investigating the adsorption performance of CO2, SO2, NH3 and CH4 molecules on Sb3(TM)O6 (TM = Sc, Ti, V, Cr, Mn, Fe, Ni, and Co) clusters for gas-sensing applications
14天前
已完结
Transition metals doped ZnO nanocluster for ethylene oxide detection: A DFT study
14天前
已完结
Transition metal improved the dehydrogenated capacity, electronic and optical properties of the layered V2C MXene for hydrogen evolution reaction
16天前
已完结
Enhancement of the selectivity of MXenes (M2C, M = Ti, V, Nb, Mo) via oxygen-functionalization: promising materials for gas-sensing and -separation
17天前
已完结
Synergistic regulation of oxygen vacancies and surface hydroxyl groups in Fe-doped CeO2 for enhanced fluoride adsorption
20天前
已完结
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