Design a Functional Graphene with Decoration of Dual Transition Metal Dopants for Hydrogen Evolution Electrocatalysis.

• Tác giả: Zi-Yang Feng, Rui-Yi Fu, Wei Kong, Chao Su, Bei-Bei Xiao, Chang-Chun Xu, Cheng-Fang Yang, Fei Yang
• Ngôn ngữ: eng
• Thông tin xuất bản: Germany : Chemphyschem : a European journal of chemical physics and physical chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 161505

Tóm tắt

Since hydrogen is a promising alternative to fossil fuels due to its high energy density and environmental friendliness, water electrolysis for hydrogen production has received widespread attentions wherein the development of active and stable catalytic materials is a key research direction. This article designs a dual transition metal doped functional graphene for hydrogen evolution reaction via density functional theory calculations. Among varied combinations, 16 candidates are screened out that are expected to be stable as reflected by the criterion of formation energy E