研究论文

Regulating the coordination environment of single atom catalysts anchored on C3N monolayer for Li-S battery by first-principles calculations

Jiezhen Xia, Rong Cao, Wanlin Xu, Qi Wu

Tibet University　Tibetan Traditional Medical College

来源Journal of Colloid and Interface Science

年份2023

DOI10.1016/j.jcis.2023.12.108

原文https://doi.org/10.1016/j.jcis.2023.12.108

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Advanced Battery Materials and Technologies

Advancements in Battery Materials · MXene and MAX Phase Materials

参考文献 73

Edge Effects on the Characteristics of Li Diffusion in Graphene

Chananate Uthaisar, Verónica Barone · Nano Letters · 2010

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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994

被引 92,655

Use of the generalized gradient approximation in pseudopotential calculations of solids

Yu-Min Juan, Efthimios Kaxiras, Roy G. Gordon · Physical review. B, Condensed matter · 1995

被引 97

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引用本文 33

DFT-driven design of efficient dual-atom electrocatalysts for lithium-sulfur batteries: Fe dimers supported on phthalocyanine

Shaobo Jia, Chou Wu, Haiyan Zhu · Journal of Colloid and Interface Science · 2025

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Local structure modulations of single-atom catalysts in sulfur electrocatalysis: A comprehensive review

Gaoran Li, Jianjun Zhang, Zhenzhen Wu · Materials Today · 2025

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Theoretical evaluation of monolayer MA2Z4 (M = Ti, Zr, or Hf; A = Si or Ge; and Z = P or As) family as promising candidates for lithium–sulfur batteries

Jiguang Du, Xuying Zhou, Xiujuan Cheng · Journal of Colloid and Interface Science · 2024

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