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Frontispiece: Insights into the Electrocatalytic Hydrogen Evolution Reaction Mechanism on Two‐Dimensional Transition‐Metal Carbonitrides (MXene)
Author(s) -
Huang Bin,
Zhou Naigen,
Chen Xingzhu,
Ong WeeJun,
Li Neng
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201886966
Subject(s) - transition metal , materials science , noble metal , density functional theory , catalysis , metal , water splitting , nanocomposite , hydrogen , nanotechnology , work (physics) , chemical engineering , chemical physics , computational chemistry , metallurgy , chemistry , thermodynamics , physics , photocatalysis , organic chemistry , engineering
Developing highly active , non‐noble‐metal H 2 ‐evolution catalysts is appealing yet still remains a great challenge. In this work, high quality transition‐metal carbonitrides M 3 CN (MXene) are investigated using well‐defined density functional theory (DFT) calculations. The presented in‐depth investigations for transition‐metal carbonitrides (MXene) opens up new designs for robust metal carbonitrides as noble‐metal‐free cocatalysts for highly efficient and low‐cost MXene‐based nanocomposites for water splitting applications. For more information, see the Full Paper by W.‐J. Ong et al. on page 18479 ff.