The Role of Hydrogen Adsorption Site Diversity in Catalysis on Transition-Metal Phosphide Surfaces

被引：28
|
作者：
Kuo, Ding -Yuan [1 ]
Nishiwaki, Emily [1 ]
Rivera-Maldonado, Ricardo A. [1 ]
Cossairt, Brandi M. [1 ]
机构：
[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA
来源：
ACS CATALYSIS | 2023年 / 13卷 / 01期
基金：
美国国家科学基金会;
关键词：
NICKEL PHOSPHIDE; COBALT PHOSPHIDE; HYDRODESULFURIZATION PROPERTIES; MOLYBDENUM PHOSPHIDE; EVOLUTION REACTION; ACTIVE-SITES; OXIDATION REACTION; HYDRODENITROGENATION; ELECTROCATALYST; ACID;
D O I：
10.1021/acscatal.2c04936
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The hydrogen evolution reaction (HER) activity of certain Transition-metal phosphides (TMP) has been attributed to their nearly ideal hydrogen binding energy (HBE), similar to Pt, as deduced by first-principles calculations. The structural complexity of TMP and its impact on the formation of adsorbed H (Had) and catalysis are discussed along with the validity of HBE theory on TMP and whether a single value of HBE is sufficient to describe TMP activity trends. The diversity of adsorption sites introduces challenges in bridging computational and experimental results, because of large discrepancies in calculated TMP HBE values and difficulties in characterizing the surface of a catalyst. Most importantly, the diversity of sites present on TMP surfaces is crucial in understanding mechanisms of more-complex reactions involving hydrogen.
引用
收藏
页码：287 / 295
页数：9
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