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首页> 外文期刊>Materials Letters >Hydrogen storage on metal decorated pristine siligene and metal decorated boron-doped siligene
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Hydrogen storage on metal decorated pristine siligene and metal decorated boron-doped siligene

机译：金属储氢储氢原始硅藻土和金属装饰硼掺杂的硅藻

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摘要

In this work, two schemes were studied to improve hydrogen storage on metal decorated two-dimensional siligene (SiGe). In the first one, Li-, Sc- and Ti atoms are adsorbed on pristine siligene monolayer (SiGeML), while in the second scheme Li-, Sc- and Ti atoms decorated B-doped siligene monolayer (BSiGeML). The results show that boron doping improves the interaction between metal atom and SiGeML. The numerical results indicate that H-2 molecules are slightly physisorbed on the Li atom, while they are strongly physisorbed on Sc- and Ti-decorated monolayers. The Sc-decorated BSiGeML and Sc-decorated SiGeML have the highest hydrogen storage capacity, both systems were capable of storing five H-2 molecules, whereas Li- and Ti-decorated BSiGeML and Ti-decorated SiGeML can adsorb up to four H-2 molecules. SiGeML and BSiGeML decorated with Sc atoms could have potential as efficient hydrogen molecular storage media. (C) 2021 Elsevier B.V. All rights reserved.
机译：在这项工作中，研究了两种方案，以改善金属装饰二维二维烯（SiGe）的储氢。 在第一，Li-，Sc-和Ti原子被吸附在原始的硅基单层（Sigem1）上，而在第二方案中，在第二种方案中，SC-和Ti原子装饰了B掺杂的硅片单层（Bsigeml）。 结果表明，硼掺杂改善了金属原子和Sigeml之间的相互作用。 数值结果表明，H-2分子略微在Li原子上地吸收，而它们在Sc-and Ti装饰的单层上被强烈地吸收。 SC装饰的Bsigeml和SC装饰的Sigeml具有最高的储氢容量，两种系统都能够储存五个H-2分子，而Li-and Ti装饰的Bsigeml和Ti装饰的Sigeml可以吸附到四个H-2 分子。 用SC原子装饰的Sigeml和Bsigeml可能具有高效的氢分子储存介质。 （c）2021 elestvier b.v.保留所有权利。

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  • 来源
    《Materials Letters》 |2021年第15期|129743.1-129743.4|共4页
  • 作者

    Cid Brandom Jhoseph; Sosa Akari Narayama; Miranda Alvaro; Perez Luis A.; Salazar Fernando; Cruz-Irisson Miguel;

  • 作者单位

    ESIME Culhuacan Inst Politecn Nacl Ave Santa Ana 1000 Mexico City 04440 DF Mexico;

    ESIME Culhuacan Inst Politecn Nacl Ave Santa Ana 1000 Mexico City 04440 DF Mexico;

    ESIME Culhuacan Inst Politecn Nacl Ave Santa Ana 1000 Mexico City 04440 DF Mexico;

    Univ Nacl Autonoma Mexico Inst Fis Mexico City 04510 DF Mexico;

    ESIME Culhuacan Inst Politecn Nacl Ave Santa Ana 1000 Mexico City 04440 DF Mexico;

    ESIME Culhuacan Inst Politecn Nacl Ave Santa Ana 1000 Mexico City 04440 DF Mexico;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Siligene; 2D materials; Hydrogen storage; Energy storage; Doping;

    机译：硅胶;2D材料;储氢;储能;兴奋剂;

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