Three-dimensional nanopores on monolayer graphene for hydrogen storage

被引：8

作者：

Zhang, Xin ^{[1
]}

Cao, Shiwei ^{[2
]}

Zhang, Ning ^{[1
]}

Wang, Lei ^{[3
]}

Chen, Ximeng ^{[1
]}

Li, Zhan ^{[4
]}

机构：

[1] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China

[2] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China

[3] Sichuan Univ, Coll Chem, Chengdu 610065, Sichuan, Peoples R China

[4] Chinese Acad Sci, Lanzhou Inst Chem Phys, Lanzhou 730000, Gansu, Peoples R China

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2018年 / 209卷

关键词：

3D nanopore; Graphene; Hydrogen storage; Noncovalent interaction; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; CARBON; BORON; SEPARATION; MEMBRANE; ELEMENTS; ATOMS; ION;

D O I：

10.1016/j.matchemphys.2017.12.082

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Hydrogen storage in solids is becoming an ever more important technology. We theoretically design a completely new material for hydrogen storage, which is quite different from the present materials. This kind of material, base on monolayer graphene, is thought to be extremely flexible. First-principles calculations and kinetic theory of gases are employed to evaluate this material. The results demonstrate that it is promising for hydrogen storage. More than anything, the hydrogen storage capacity of this material is about 4 mmol g(-1) at 300 K and 1 atm. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：134 / 145

页数：12

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