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106 积分 2025-02-21 加入
The effect of Fe, Co and Ni doped Ti 2 CO 2 on sensitivity to toxic gases: A DFT study
26天前
已关闭
Machine-Learning assisted screening of double metal catalysts for CO2 electroreduction to CH4
3个月前
已完结
The synergistic effect of W-modification and oxygen vacancies on ZnO for detecting NO2: A DFT study
4个月前
已完结
Comparison of the adsorption characteristics and sensing performance of Janus WSSe, WSe2 and WS2 materials for power transformer winding deformation fault gas: A DFT study
5个月前
已完结
Construction of an electrochemical sensor for sensitive detection of norfloxacin based on DFT and surface molecular imprinting technology
5个月前
已完结
Indium-doped 2D ZnO quantum dots for NO2 and NH3 detection: A first-principles and machine learning study
6个月前
已关闭
Directly predicting N2 electroreduction reaction free energy using interpretable machine learning with non-DFT calculated features
6个月前
已完结
Adsorption of CO, NO, and SO2 on hexagonal BaO monolayer: Insights from DFT supported by machine learning
6个月前
已完结
Adsorption of NH3 onto vacancy-defected Ti2CO2 monolayer by first-principles calculations
6个月前
已完结
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