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198 积分 2025-01-30 加入
Insight into tetracycline photocatalytic degradation mechanism in a wide pH range on BiOI/BiOBr: Coupling DFT/QSAR simulations with experiments
4个月前
已完结
DFT and machine learning studies on a multi-functional single-atom catalyst for enhanced oxygen and hydrogen evolution as well as CO2 reduction reactions
6个月前
已完结
Unveiling d-band synergy in anti-sandwich dual-atom catalysts for hydrogen evolution reaction: High-throughput DFT screening and machine learning insights
7个月前
已完结
DFT calculations and machine learning for the study of ethane dehydrogenation on the heteroatom-doped graphene supported Pt SACs
7个月前
已完结
Theoretical calculation of hydrogen evolution reaction in two-dimensional As2X3(X=S, Se, Te) doped with transition metal atoms
11个月前
已完结
First-principles determination of spin–orbit coupling parameters in two-dimensional materials
11个月前
已完结
Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products
1年前
已完结
Single metal atom anchored on porous boron nitride nanosheet for efficient collaborative urea electrosynthesis: A computational study
1年前
已完结
Interface engineering of transition metal-nitrogen-carbon by graphdiyne for boosting the oxygen reduction/evolution reactions: A computational study
1年前
已完结
Interface engineering of transition metal-nitrogen-carbon by graphdiyne for boosting the oxygen reduction/evolution reactions: A computational study
1年前
已完结
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