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Transition‐Metal–Boron Intermetallics with Strong Interatomic d–sp Orbital Hybridization for High‐Performance Electrocatalysis
Author(s) -
Ai Xuan,
Zou Xu,
Chen Hui,
Su Yutong,
Feng Xilan,
Li Qiuju,
Liu Yipu,
Zhang Yu,
Zou Xiaoxin
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201915663
Subject(s) - intermetallic , boron , transition metal , electrocatalyst , catalysis , materials science , hydrogen , orbital hybridisation , crystallography , chemistry , inorganic chemistry , molecular orbital , metallurgy , electrochemistry , molecule , molecular orbital theory , organic chemistry , electrode , alloy
A theoretical and experimental study gives insights into the nature of the metal–boron electronic interaction in boron‐bearing intermetallics and its effects on surface hydrogen adsorption and hydrogen‐evolving catalytic activity. Strong hybridization between the d orbitals of transition metal (T M ) and the sp orbitals of boron exists in a family of fifteen T M –boron intermatallics (T M :B=1:1), and hydrogen atoms adsorb more weakly to the metal‐terminated intermetallic surfaces than to the corresponding pure metal surfaces. This modulation of electronic structure makes several intermetallics (e.g., PdB, RuB, ReB) prospective, efficient hydrogen‐evolving materials with catalytic activity close to Pt. A general reaction pathway towards the synthesis of such T M B intermetallics is provided; a class of seven phase‐pure T M B intermetallics, containing V, Nb, Ta, Cr, Mo, W, and Ru, are thus synthesized. RuB is a high‐performing, non‐platinum electrocatalyst for the hydrogen evolution reaction.