Lv21
112 积分 2026-05-24 加入
Unveiling the electronic regulation mechanism via a combined DFT-machine learning strategy to screen high performance single-atom catalysts on black phosphorus monolayer for Li-S batteries
4小时前
已完结
Facet-dependent selectivity in Fischer-Tropsch synthesis facilitated by a hybrid DFT-machine learning approach
7天前
已完结
Machine Learning Driven High-Throughput Screening of Asymmetric Dinuclear Cobalt for Nitrate-to-Ammonia Reduction with Near-100% Selectivity
1个月前
已完结
Semiconducting M2X (M = Cu, Ag, Au; X = S, Se, Te) Monolayers: a Broad Range of Band Gaps and High Carrier Mobilities, Nano Research
1个月前
已完结
Controlling Schottky Barriers and Tunneling Resistances in Metal/Cu2Se Contacts via van der Waals Interlayers
1个月前
已完结
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2个月前
已完结
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