Lv41
490 积分 2024-03-28 加入
Adsorption and gas sensitivity properties of graphene and Rh-decorated graphene towards SF6 decomposed gases: A DFT study
6天前
已完结
DFT Study of the ORR Catalytic Activity of As‐Doped and As‐N Co‐Doped Graphene Substrates
19天前
已完结
Theoretical Insights on the Charge State and Bifunctional OER/ORR Electrocatalyst Activity in 4d-Transition-Metal-Doped g-C3N4 Monolayers
20天前
已完结
Unveiling the role of metal-doped BNC2 monolayer for selective gas adsorption: A DFT investigation
20天前
已完结
Tailoring the Oxidizing Intermediate in the Fenton Reaction, OH⋅ or FeIV=Oaq, by Modifying the pKa of the (H2O)5FeII(H2O2) Complex, and the Case of PDS – a DFT Study
20天前
已完结
Strong interactions through the highly polar “Early–Late” metal–metal bonds enable single–atom catalysts good durability and superior bifunctional ORR/OER activity
20天前
已完结
Axial Ligand Engineering Enhanced CoN4-Based catalysts as efficient Electrocatalysts for ORR/OER with low overpotentials: A DFT study
20天前
已完结
Hybrid scheme of DFT and machine learning to accelerate the design of graphyne nanoribbons as electrocatalysts for the ORR and HER
20天前
已完结
Ca-decorated 2D Irida-graphene as a promising hydrogen storage material: A combination of DFT and AIMD study
20天前
已完结
Phase‐Controlled Growth of 1T′‐MoS2 Nanoribbons on 1H‐MoS2 Nanosheets
3个月前
已完结
Transient chemical and structural changes in graphene oxide during ripening
Current Development and Future Perspective on Natural Jute Fibers and Their Biocomposites
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