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
相关论文
共 50 条
  • [41] VIBRATIONAL FREQUENCIES AND VALENCE FORCE CONSTANTS OF FIRST-ROW TRANSITION-METAL DI-FLUORIDES
    HASTIE, JW
    HAUGE, R
    MARGRAVE, JL
    JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1969, (24): : 1452 - &
  • [42] Benchmarking the Oxygen Reduction Electroactivity of First-Row Transition-Metal Oxide Clusters on Carbon Nanotubes
    Wu, Kuang-Hsu
    Allen-Ankins, Mikaela
    Zeng, Qingcong
    Zhang, Bingsen
    Pan, Jian
    Zhang, Jiayun
    Su, Dang-Sheng
    Gentle, Ian R.
    Wang, Da-Wei
    CHEMELECTROCHEM, 2018, 5 (14): : 1862 - 1867
  • [43] First-row transition metal phthalocyanines as catalysts for water electrolysis: a comparative study
    Chebotareva, N
    Nyokong, T
    ELECTROCHIMICA ACTA, 1997, 42 (23-24) : 3519 - 3524
  • [44] First-row transition metal compounds for aqueous metal ion batteries
    Zhou, Mengmeng
    Huang, Xinjun
    Tian, Xiaomeng
    Jia, Baohua
    Pan, Hongge
    Sun, Wenping
    Zhao, Qin
    Ma, Tianyi
    JOURNAL OF ENERGY CHEMISTRY, 2021, 63 : 195 - 216
  • [45] Geometric Analysis and DFT Study of 2,2′-Dipyridylamine-Stabilized First-Row Transition-Metal Complexes
    Tetteh, Samuel
    CRYSTAL GROWTH & DESIGN, 2023, 24 (01) : 506 - 513
  • [46] First-row transition metal compounds for aqueous metal ion batteries
    Mengmeng Zhou
    Xinjun Huang
    Xiaomeng Tian
    Baohua Jia
    Hongge Pan
    Wenping Sun
    Qin Zhao
    Tianyi Ma
    Journal of Energy Chemistry, 2021, 63 (12) : 195 - 216
  • [47] Systematic study of first-row transition-metal diatomic molecules: A self-consistent DFT plus U approach
    Kulik, Heather J.
    Marzari, Nicola
    JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (11):
  • [48] A density functional theory study of methane to methanethiol conversion by first-row transition-metal sulfide ion: MnS+
    Zhang, Xing-hui
    Fang, Ran
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 805 (1-3): : 167 - 173
  • [49] Computational study of first-row transition metals in monodoped 4H-SiC
    Wolfe, Timothy S.
    Van Ginhoven, Renee M.
    Strachan, Alejandro
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021, 29 (05)
  • [50] FIRST-ROW TRANSITION METAL PYRIDINE/γ-PICOLINE SULFATE COMPLEXES
    Golen, James A.
    Pham, Duyen N. K.
    Roy, Mrittika
    Kreider-Mueller, Ava
    Manke, David R.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2019, 75 : A34 - A34
12345