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380 积分 2024-09-14 加入
Al‐Doping Driven Suppression of Capacity and Voltage Fadings in 4d‐Element Containing Li‐Ion‐Battery Cathode Materials: Machine Learning and Density Functional Theory
1个月前
已完结
Theoretical screening of transition metal atoms supported on two-dimensional Janus VSSe for HER/OER/ORR single-atom catalysts
1个月前
已完结
Hierarchically stabilized Pt single-atom catalysts induced by an atomic substitution strategy for an efficient hydrogen evolution reaction
1个月前
已完结
Coordination environments build up and tune a superior synergistic “genome” toward novel trifunctional (TM-NxO4−x)@g-C16N3-H3: High-throughput inspection of ultra-high activity for water splitting and oxygen reduction reactions
1个月前
已完结
Ligand Modulation of Active Sites to Promote Cobalt‐Doped 1T‐MoS2 Electrocatalytic Hydrogen Evolution in Alkaline Media
1个月前
已完结
Computational discovery of a novel double transition metal nitride MXene and its applications as an anchoring and catalytic material in Li–Se batteries
1个月前
已完结
Position-controlled non-metal single atoms on MXene enable high-performance oxygen reduction electrocatalysis
2个月前
已完结
Atomically dispersed noble metal-free Cu(I) sites in Ce-MOF-808 with enhanced catalytic hydrogenation performance
2个月前
已完结
O-(La)-promoted hydrogen transfer enables low-loading Pd catalysts for selective acetylene hydrogenation
2个月前
已关闭
Unlocking efficient CO2–to–methanol conversion on frustrated Lewis pair-functionalized UiO–67: A synergistic approach using DFT and SISSO
2个月前
已完结
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