Lv4
746 积分 2024-03-28 加入
Exploring the sensitivity of pristine, Cl-, and Al-doped MoS2 nanosheets toward Formaldehyde: A DFT-QTAIM study
2天前
已完结
Adsorption of gas molecule on Rh, Ru doped monolayer MoS2 for gas sensing applications: A DFT study
2天前
已完结
Investigation of bifunctionality of FePc-functionalized graphene for enhanced ORR/OER activity
1个月前
已完结
Machine-learning-assisted catalytic performance predictions of binary alloy catalysts for glucose hydrogenation
6个月前
已完结
Machine Learning Accelerated First-Principles Study of the Hydrodeoxygenation of Propanoic Acid
6个月前
已完结
Collective Effect in a Multicomponent Ensemble Combining Single Atoms and Nanoparticles for Efficient and Durable Oxygen Reduction
6个月前
已完结
Unveiling high-performance single-atom alloy catalysts for alkane dehydrogenation through DFT and machine learning synergy
7个月前
已完结
From Discovery to Optimization: Data-Driven Development of NH3 Sensing Materials Validated by Experiments and DFT
7个月前
已完结
Flake-like WO3 decorated by PdRh nanoalloys: sensing performance, DFT calculation, and machine learning-enhanced selectivity for triethylamine gas detection
7个月前
已完结
Homoatomic flatlands beyond graphene: A new avenue for gas sensors
7个月前
已完结
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