首页|Microscopic mechanism of plasmon-mediated photocatalytic H2 splitting on Ag-Au alloy chain

Microscopic mechanism of plasmon-mediated photocatalytic H2 splitting on Ag-Au alloy chain

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Alloy nanostructures supporting localized surface plasmon resonances has been widely used as efficient photocata-lysts,but the microscopic mechanism of alloy compositions enhancing the catalytic efficiency is still unclear.By using time-dependent density functional theory(TDDFT),we analyze the real-time reaction processes of plasmon-mediated H2 splitting on linear Ag-Au alloy chains when exposed to femtosecond laser pulses.It is found that H2 splitting rate depends on the position and proportion of Au atoms in alloy chains,which indicates that specially designed Ag-Au alloy is more likely to induce the reaction than pure Ag chain.Especially,more electrons directly transfer from the alloy chain to the anti-bonding state of H2,thereby accelerating the H2 splitting reaction.These results establish a theoretical foundation for comprehending the microscopic mechanism of plasmon-induced chemical reaction on the alloy nanostructures.

plasmonphotocatalysistime-dependent density functional theory(TDDFT)

宋玉慧、芦一瑞、郭阿鑫、曹逸飞、李金萍、付正坤、严蕾、张正龙

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School of Physics and Information Technology,Shaanxi Normal University,Xi'an 710119,China

国家重点研发计划国家重点研发计划国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金陕西省自然科学基金Fundamental Science Foundation of Shaanxi Province,China中央高校基本科研业务费专项中央高校基本科研业务费专项

2020YFA02113002021YFA1201500U22A60059215011012074237123044262024JC-JCQN-0722JSZ010GK202201012GK202308001

2024

10.1088/1674-1056/ad123d

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子：0.995
ISSN：1674-1056
年,卷(期)：2024.33(3)
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