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52 积分 2025-03-25 加入
Adsorption energy prediction and mechanistic analysis of metal atoms on MXene surfaces based on DFT and machine learning
10天前
已完结
Machine learning combined with density functional theory method designed bimetal Ni-based catalysts suppressing atomic carbon deposition for dry reforming of methane
10天前
已完结
Sensing study of Fe- and Zn-doped MXene Nb2CO2 for the detection of dissolved gases H2, C2H4, and C2H2 in transformer oil: A DFT study
17天前
已完结
Adsorption of toxic gases by transition metal doped Ti 2 CO 2 MXene: a DFT study
17天前
已完结
Two‐Dimensional Nanostructured Materials for Gas Sensing
19天前
已完结
Adsorption and sensing properties of CO, H 2 S and SO 2 on Janus WSSe monolayer: a first-principles approach
24天前
已完结
Study of H2S, CO, and SO2-based nano-gas sensors using pristine and Pt-Doped WS2 monolayer
24天前
已完结
Density functional theory study of Cu-doped BNNT as highly sensitive and selective gas sensor for carbon monoxide
1个月前
已完结
First-principles investigation of transition metal and nitrogen co-doped graphene as gas-sensing materials for poisonous and hazardous gas molecules
1个月前
已完结
Theoretical Study of Gas Sensing toward Acetone by a Single-Atom Transition Metal (Sc, Ti, V, and Cr)-Doped InP3 Monolayer
1个月前
已完结
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