Atomically Local Electric Field Induced Interface Water Reorientation for Alkaline Hydrogen Evolution Reaction

Abstract The slow water dissociation process in alkaline electrolyte severely limits the kinetics of HER. The orientation of H 2 O is well known to affect the dissociation process, but H 2 O orientation is hard to control because of its random distribution. Herein, an atomically asymmetric local electric field was designed by IrRu dizygotic single‐atom sites (IrRu DSACs) to tune the H 2 O adsorption configuration and orientation, thus optimizing its dissociation process. The electric field intensity of IrRu DSACs is over 4.00×10 10 N/C. The ab initio molecular dynamics simulations combined with in situ Raman spectroscopy analysis on the adsorption behavior of H 2 O show that the M−H bond length (M=active site)…

• UD
  U.S. Department of Energy

  Awards: AC02-06CH11357, DE-AC02, 06CH11357, DE-AC02-06CH11357, DE-AC02-
• AV
  Alexander von Humboldt-Stiftung
• ST
  Solar Technologies go Hybrid
• EC
  European Commission

  Awards: 802989, DE-AC02-06CH11357
• DF
  Deutsche Forschungsgemeinschaft

  Awards: 390776260, 802989, DE-AC02-06CH11357, EXC 2089/1, EXC 2089/1-390776260, EXC 2089, 2089/1-390776260
• NN
  National Natural Science Foundation of China

  Awards: 12174450, 11874429, 22203105, 22002189, DE-AC02-06CH11357, U1932148, 52202125, 21872174
• CS
  Central South University

  Award: 2018RS3021
• NS
  Natural Science Foundation of Hunan Province

  Awards: 2020JJ5691, 2020JJ2041, 2022WK2002, 2020JJ2039, 2018RS3021
• SS
  Shenzhen Science and Technology Innovation Program

  Award: JCYJ20180307151313532
• AN
  Argonne National Laboratory

  Awards: DE-AC02, 06CH11357, AC02-06CH11357