Half‐Calcium Substitution of the CaB <sub>6</sub> Surface with Hydrogen: Synthesis, Structural Characterization, and Electronic Structure

Modifying the surface structure of borides to form boron–hydrogen bonds, as observed in hydrogenated borophene, may enhance their catalytic activity, as well as their hydrogen storage and release capabilities. In this study, the formation of boron–hydrogen bonds at the surface of calcium hexaboride (CaB 6 ) is demonstrated. Through an ion‐exchange reaction, approximately half of the calcium ions in CaB 6 are replaced by protons, forming three‐center two‐electron (BHB) bonds according to the reaction: CaB 6 + H + → HCa 0.5 B 6 + 0.5Ca 2+ . Scanning transmission electron microscopy reveals that the resulting HCa 0.5 B 6 consists of alternating Ca‐rich and Ca‐deficient planes, attributed to the propagation of the ion‐exchange reaction from the (2 × 1) reconstructed surface. Owing to the strong sensitivity of catalytic properties to surface states, the surface modification strategy proposed in this study may provide new opportunities for the design of highly efficient functional materials such as boride‐based catalysts.

Authors

Institutions

Publication Details

Journal
Small Structures
Published
2025-09-12
DOI
https://doi.org/10.1002/sstr.202500389
Primary Topic
Boron and Carbon Nanomaterials Research
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Half‐Calcium Substitution of the CaB 6 Surface with Hydrogen: Synthesis, Structural Characterization, and Electronic Structure

Hideo Hosono, Osamu Oki, Yanlin Gao, Susumu Okada et al.
Small Structures
Boron and Carbon Nanomaterials Research
article

Half‐Calcium Substitution of the CaB 6 Surface with Hydrogen: Synthesis, Structural Characterization, and Electronic Structure

Hideo Hosono, Osamu Oki, Yanlin Gao, Susumu Okada, Mitsuhiro Saito, Shin‐ichi Orimo, Yuichi Ikuhara, Satoshi Tominaka, Ryuki Tsuji, Mina Maruyama, Miwa Hikichi, Ben Slater, Takahiro Kondo, Shin‐ichi Ito, Hikari Yoshioka
article en

Abstract

Modifying the surface structure of borides to form boron–hydrogen bonds, as observed in hydrogenated borophene, may enhance their catalytic activity, as well as their hydrogen storage and release capabilities. In this study, the formation of boron–hydrogen bonds at the surface of calcium hexaboride (CaB 6 ) is demonstrated. Through an ion‐exchange reaction, approximately half of the calcium ions in CaB 6 are replaced by protons, forming three‐center two‐electron (BHB) bonds according to the reaction: CaB 6 + H + → HCa 0.5 B 6 + 0.5Ca 2+ . Scanning transmission electron microscopy reveals that the resulting HCa 0.5 B 6 consists of alternating Ca‐rich and Ca‐deficient planes, attributed to the propagation of the ion‐exchange reaction from the (2 × 1) reconstructed surface. Owing to the strong sensitivity of catalytic properties to surface states, the surface modification strategy proposed in this study may provide new opportunities for the design of highly efficient functional materials such as boride‐based catalysts.

Small StructuresVol. 6(11)
Tokyo Institute of Technology (JP), University of Tsukuba (JP), Bunkyo University (JP), Tohoku University (JP), National Institute for Materials Science (JP), Advanced Institute of Materials Science (JP), University College London (GB), The University of Tokyo (JP)
Ministry of Education, Culture, Sports, Science and Technology, Japan Society for the Promotion of Science, Core Research for Evolutional Science and Technology
Openalex Percentile: Top 79%
Boron and Carbon Nanomaterials Research
DOIOpen Access PDFOpenAlex
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.