Hydrogen storage capacities of first-row transition-metal modified phosphorene: A computational study

被引：0
|
作者：
Vera-de la Garza, Cesar Gabriel [1 ]
Sandoval, Daniela Osorio [1 ]
Narvaez, Wilmer Esteban Vallejo [1 ]
Fomine, Serguei [1 ]
机构：
[1] Univ Nacl Autonoma Mexico, Inst Invest Mat, Apartado Postal 70-360, Mexico City 04510, Mexico
来源：
COMPUTATIONAL AND THEORETICAL CHEMISTRY | 2025年 / 1248卷
关键词：
Phosphorene nanoflakes; Hydrogen storage capacity; Transition metals; Metal decoration; DFT; Sustainable energy; ACTIVATED CARBON; ADSORPTION; NANOTUBES; COMPLEXES; STRAIN; ATOMS;
D O I：
10.1016/j.comptc.2025.115210
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：
引用
收藏
页数：9
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