Structures of D2 layers on MgO (001)

MI Alomari, JN Dawoud - Computational and Theoretical Chemistry, 2022 - Elsevier

Attention is focused on the rotational motions of a light D 2 molecule rotating freely over the
MgO (0 0 1) surface. Perturbation theory (PT) calculations are also utilized to investigate the …

被引用次数：3 相关文章所有 2 个版本

The electric field effect on the hydrogen storage properties of (MgO) 9

YH Yin, HS Chen - Computational and Theoretical Chemistry, 2016 - Elsevier

Abstract (MgO) 9 with a rocksalt structure, a magic number cluster of (MgO) n, exhibits high
stability. In this study, the hydrogen storage properties of (MgO) 9 under an external electric …

被引用次数：11 相关文章所有 3 个版本

The electric fields enhance the non-covalent intermolecular interaction between H2 and (MgO) 3

YH Yin, Q Wang - Chemical Physics, 2020 - Elsevier

The hydrogen storage properties of (MgO) 3 cluster under an electric field are investigated
by M06-2X method. The results show that H 2 can be adsorbed on a Mg or O atom through …

被引用次数：5 相关文章所有 2 个版本

[PDF] researchgate.net

[PDF][PDF] 电场诱导(MgO) 12 储氢的从头计算研究

尹跃洪，陈宏善，宋燕 - 物理学报, 2015 - researchgate.net

管状(MgO) 12 是(MgO) n 的幻数团簇, 非常稳定. 为研究电场对其储氢性能的影响,
本文在B3LYP/6-31G** 水平上研究了电场中H2 在(MgO) 12 管状结构上的吸附性质 …

Structure and stability of quantum H2 films on ionic surfaces: a theoretical study

A Sadeghifar - 2020 - open.library.ubc.ca

The process of H₂ adsorption on ionic surfaces has long been of importance
technologically as well as of interest to “pure” science because they constitute simple ideal …

A model study of adlayer pattern formation of rigid di-tri-and tetratopic molecules on square and triangular lattices

MI Alomari - 2015 - search.proquest.com

In this work we considered the adlayer self-assembly of three model molecules di-, tri-and
tetratopic with different sizes and potential energy parameters on square and hexagonal …

[引用][C] 电场中MgO 分子吸附H_2 的理论研究

徐红萍，尹跃洪 - 原子与分子物理学报, 2015