Descriptor framework integrating adsorption-site identity with local atomic chemical information for hydrogen adsorption prediction on bimetallic alloys

Wenzong Song; Yuxin Hao; Xin Ye; Zhihuan Wang; Jingzi Zhang; Zeyun Cai; Kailong Hu

doi:10.1039/d6cc03141b

Descriptor framework integrating adsorption-site identity with local atomic chemical information for hydrogen adsorption prediction on bimetallic alloys

Wenzong Song
, Yuxin Hao
, Xin Ye
, Zhihuan Wang
, Jingzi Zhang
, Zeyun Cai^*
, Kailong Hu^*

^*Corresponding author for this work

Harbin Institute of Technology (Shenzhen)
Harbin Institute of Technology Shenzhen
CAS - Ningbo Institute of Material Technology and Engineering

Research output: Contribution to journal › Article › peer-review

Abstract

A coordination-weighted, site-local descriptor framework is reported for interpretable prediction of hydrogen adsorption on bimetallic alloys.

Original language	English
Pages (from-to)	15019-15023
Number of pages	5
Journal	Chemical Communications
Volume	62
Issue number	60
DOIs	https://doi.org/10.1039/d6cc03141b
State	Published - 4 Aug 2026
Externally published	Yes

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10.1039/d6cc03141b

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title = "Descriptor framework integrating adsorption-site identity with local atomic chemical information for hydrogen adsorption prediction on bimetallic alloys",

abstract = "A coordination-weighted, site-local descriptor framework is reported for interpretable prediction of hydrogen adsorption on bimetallic alloys.",

author = "Wenzong Song and Yuxin Hao and Xin Ye and Zhihuan Wang and Jingzi Zhang and Zeyun Cai and Kailong Hu",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry, 2026.",

year = "2026",

month = aug,

day = "4",

doi = "10.1039/d6cc03141b",

language = "英语",

volume = "62",

pages = "15019--15023",

journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Descriptor framework integrating adsorption-site identity with local atomic chemical information for hydrogen adsorption prediction on bimetallic alloys

AU - Song, Wenzong

AU - Hao, Yuxin

AU - Ye, Xin

AU - Wang, Zhihuan

AU - Zhang, Jingzi

AU - Cai, Zeyun

AU - Hu, Kailong

PY - 2026/8/4

Y1 - 2026/8/4

N2 - A coordination-weighted, site-local descriptor framework is reported for interpretable prediction of hydrogen adsorption on bimetallic alloys.

AB - A coordination-weighted, site-local descriptor framework is reported for interpretable prediction of hydrogen adsorption on bimetallic alloys.

UR - https://www.scopus.com/pages/publications/105044658865

U2 - 10.1039/d6cc03141b

DO - 10.1039/d6cc03141b

M3 - 文章

AN - SCOPUS:105044658865

SN - 1359-7345

VL - 62

SP - 15019

EP - 15023

JO - Chemical Communications

JF - Chemical Communications

IS - 60

ER -

Descriptor framework integrating adsorption-site identity with local atomic chemical information for hydrogen adsorption prediction on bimetallic alloys

Abstract

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