Article history: Borophene, a new kind of two-dimensional materials, were successfully synthesized in experiment Received 10 July 2017 recently with potential applications. In this study, we have investigated the hydrogen storage perfor- Received in revised form 7 August 2017 mances of alkali-metal (Li, Na and K) doped three types of borophene polytypes synthesized on Ag Accepted 20 August 2017 substrate. It is found that strong binding strength exists between alkali-metal atoms and borophene, Available online 24 August 2017 where metal atoms on borophene with separated distribution are energy more favorable than the for- mation of metal clusters, avoiding the aggregation problems. Polarization mechanism plays a dominant Keywords: role in H adsorption and the obtained storage capacities are closely related with the conﬁgurations Borophene of borophene, types of foreign atoms and the electronic interactions therein. The effects of tempera- Hydrogen storage ture and pressure have also been taken into consideration through modiﬁed van’t Hoff equation. Our First-principle results demonstrate that Na-doped S2 and S3 and Li-doped three types of borophene could be severed Alkali-metal doping as promising candidates for hydrogen storage. © 2017 Elsevier B.V. All rights reserved. 1. Introduction and chemical storage. Chemical storage, including metal hydrides [10,11], complex
Applied Surface Science – Elsevier
Published: Jan 1, 2018
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera