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160 积分 2025-07-15 加入
Ab‐initiosimulations of materials using VASP: Density‐functional theory and beyond
3天前
已完结
Construction of Electron Bridge and Activation of MoS<sub>2</sub> Inert Basal Planes by Ni Doping for Enhancing Photocatalytic Hydrogen Evolution
5天前
已完结
High-throughput screening of transition metal single atom catalysts anchored on molybdenum disulfide for nitrogen fixation
7天前
已完结
First-principles study of a MoS[formula omitted]/h-BN heterostructure with vacancy defects
9天前
已完结
Au-In Alloy for Excellent Ohmic Contact in GeSe Devices with Enhanced Photodetector Properties
19天前
已完结
Modulating the electronic properties of perovskite via σ–π interfacial interactions: A computational study
19天前
已完结
Computational screening for high-activity MoS2 monolayer-based catalysts for the oxygen reduction reaction via substitutional doping with transition metal
25天前
已完结
A DFT investigation of electronic, magnetic, and optical properties of 2D MFeCl6 (M= Zr, Hf) single-layer
1个月前
已完结
Synthesis of a 2D tungsten MXene for electrocatalysis
1个月前
已完结
Spin polarization regulates photocatalytic CO2 into hydrocarbons by Co doped BiOCl
1个月前
已完结
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