Chemical Physics | VOL. 461
Read

First principle study of sodium decorated graphyne

Publication Date Nov 1, 2015

Abstract

Abstract We present first-principles calculations of the electronic properties of Na-decorated graphyne. This structure of the graphyne family is a direct band gap semiconductor with a band gap of 0.44 eV in absence of sodium, but Na-decorated graphyne compounds are metallic, and can then be employed as carbon-based conductors. Metallization is due to charge donation from sodium to carbon. Pristine graphyne is more stable than Na-decorated graphyne, therefore is seems probable that, if this material should be employed as electrode in Na-ion batteries, it would lead to the formation of metallic sodium rather than well dispersed sodium ions. On the other side, this property might be useful if graphyne is employed in water desalination. Finally, the abrupt change from a semiconducting to a metallic state in presence of a small amount of sodium might be exploited in electronics, e.g. for the production of smooth metal–semiconductor interfaces through spatially selective deposition of sodium.

Concepts
Powered ByUnsilo

eV In Absence
Direct Band Gap Semiconductor
Pristine Graphyne
Absence Of Sodium
Na-ion Batteries
Water Desalination
Formation Of Sodium
Abrupt Change
Band Gap
Electrode In Batteries

Introducing Weekly Round-ups!Beta

Powered by R DiscoveryR Discovery

Round-ups are the summaries of handpicked papers around trending topics published every week. These would enable you to scan through a collection of papers and decide if the paper is relevant to you before actually investing time into reading it.

Coronavirus Research Articles published between Aug 01, 2022 to Aug 07, 2022

R DiscoveryAug 08, 2022
R DiscoveryArticles Included:  5

Introduction: The corona virus disease (COVID)-19 is a severe acute respiratory syndrome (SARS-CoV-2) which is posing a great threat to mankind and ha...

Read More

Climate change Research Articles published between Aug 01, 2022 to Aug 07, 2022

R DiscoveryAug 08, 2022
R DiscoveryArticles Included:  5

We use cookies to improve your website experience. To learn about our use of cookies and how you can manage your cookie settings, please see our Cooki...

Read More

Good health Research Articles published between Aug 01, 2022 to Aug 07, 2022

R DiscoveryAug 08, 2022
R DiscoveryArticles Included:  2

Don’t have an account? Create a Free Account If you don't remember your password, you can reset it by entering your email address and clicking the Res...

Read More

Quality Of Education Research Articles published between Aug 01, 2022 to Aug 07, 2022

R DiscoveryAug 08, 2022
R DiscoveryArticles Included:  2

Introduction: In 2014 the Accreditation Council for Graduate Medical Education modified adult training requirements for child neurology certification ...

Read More

Gender Equality Research Articles published between Aug 01, 2022 to Aug 07, 2022

R DiscoveryAug 08, 2022
R DiscoveryArticles Included:  3

Introduction: Opioid use disorder (OUD) is characterized as a problematic cycle of substance intoxication and binging, followed by associated withdraw...

Read More

Coronavirus Pandemic

You can also read COVID related content on R COVID-19

R ProductsCOVID-19

ONE PROBLEM . ONE PURPOSE . ONE PLACE

Creating the world’s largest AI-driven & human-curated collection of research, news, expert recommendations and educational resources on COVID-19

COVID-19 Dashboard

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on “as is” basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The Copyright Law.