Structural diversity and hydrogen storage properties in the system K–Si–H

Author:

Xie Hui12ORCID,Liang Tianxiao1,Cui Tian13ORCID,Feng Xiaolei4,Song Hao1,Li Da1ORCID,Tian Fubo1ORCID,Redfern Simon A. T.5,Pickard Chris J.67,Duan Defang1ORCID

Affiliation:

1. State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, P. R. China

2. Department of Physics and Electronic Engineering, Hebei Normal University for Nationalities, Chengde, 067000, China

3. Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo, 315211, P. R. China

4. Institute for Disaster Management and Reconstruction, Sichuan University - the Hong Kong Polytechnic University, Chengdu, 610207, China

5. Asian School of the Environment and School of Materials Science and Engineering, 50 Nanyang Avenue, Nanyang Technological University, 639798, Singapore

6. Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, UK

7. Advanced Institute for Materials Research, Tohoku University 2-1-1 Katahira, Aoba, Sendai, 980-8577, Japan

Abstract

A new phase Pm1 of K2SiH6 was uncovered at ambient pressure by means of first-principles structure searches, which is a promising hydrogen storage material with high gravimetric and volumetric hydrogen densities.

Funder

National Natural Science Foundation of China

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3