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28 积分 2023-02-11 加入
Electronic structure guided design of transition metal single atom catalysts on pentagonal PtN 2 for electrocatalytic N 2 reduction: a DFT study
7天前
已完结
Dual regulatory mechanisms and machine learning analysis of nitrate reduction: a triatomic heteronuclear catalyst on g-C2N
17天前
已完结
Machine learning-assisted screening and prediction of bifunctional OER/ORR single-atom catalysts for non-metal-doped C2N
1个月前
已完结
Theoretical study on the mechanism of electrocatalytic nitrogen reduction of ammonia with single-atom catalyst loaded on CN4
1个月前
已完结
Asymmetric N, P-coordinated Co single-atom catalyst for efficient oxygen reduction reaction in Zn-air batteries
1个月前
已完结
Unraveling the structure-electronic structure-activity relationship in M-B-N-G single-atom catalysts for bifunctional oxygen electrocatalysis
1个月前
已完结
Homonuclear diatomic transition metal catalysts anchored on PC3 monolayer for electrocatalytic N2 reduction: A DFT Study
1个月前
已完结
Homonuclear diatomic transition metal catalysts anchored on PC3 monolayer for electrocatalytic N2 reduction: A DFT Study
2个月前
已完结
Constructing highly efficient bifunctional catalysts for oxygen reduction and oxygen evolution by modifying MXene with transition metal
2个月前
已完结
A review of computational modeling for platinum-based alloys: From DFT to AI
2个月前
已完结
Hierarchically Porous Carbon‐Supported Fe Dual‐Sites for Synergistic Oxygen Reduction in Zinc–Air Batteries
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