id:"swepub:oai:DiVA.org:kth-298101"
Sökning: id:"swepub:oai:DiVA.org:kth-298101" > First-Principles Ob...
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
First-Principles Observation of Bonded 2D B4C3 Bilayers
-
- Shen, Jiacai (författare)
- Xiamen Univ, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China.
-
- Zheng, Feng (författare)
- Xiamen Univ, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China.
-
- Wang, Shaoxian (författare)
- Shandong Normal Univ, Shandong Key Lab Med Phys & Image Proc, Sch Phys & Elect, Jinan 250358, Peoples R China.;Shandong Normal Univ, Shandong Prov Engn & Tech Ctr Light Manipulat, Sch Phys & Elect, Jinan 250358, Peoples R China.
- visa fler...
- visa färre...
- Xiamen Univ, Collaborat Innovat Ctr Optoelect Semicond & Effic, Dept Phys, Xiamen 361005, Peoples R China Shandong Normal Univ, Shandong Key Lab Med Phys & Image Proc, Sch Phys & Elect, Jinan 250358, Peoples R China.;Shandong Normal Univ, Shandong Prov Engn & Tech Ctr Light Manipulat, Sch Phys & Elect, Jinan 250358, Peoples R China. (creator_code:org_t)
- 2021-05-13
- 2021
- Engelska.
- Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 6:20, s. 13218-13224
- Tidskriftsartikel (refereegranskat)
Abstract
Ämnesord
Stäng
- Two-dimensional (2D) B-C compounds possess rich allotropic structures with many applications. Obtaining new 2D B4C3 structures is highly desirable due to the novel applications of three-dimensional (3D) B4C3 in protections. In this work, we proposed a new family of 2D B4C3 from the first-principles calculations. Distinct from previous observations, this family of 2D B4C3 consists of bonded 2D B4C3 bilayers. Six different types of bilayers with distinct bonded structures are found. The phonon spectrum calculations and ab initio molecular dynamics simulations at room temperature demonstrate their dynamic and thermal stabilities. Low formation energies suggest the high possibility of realizing such structures in experiments. Rich electronic structures are found, and the predicted Young's moduli are even higher than those of the previous ones. It is revealed that the unique electronic and mechanical properties are rooted in the bonding structures, indicating the prompting applications of this family of 2D B4C3 materials in photovoltaics, nanoelectronics, and nanomechanics.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
Hitta mer i SwePub
- Av författaren/redakt...
- Shen, Jiacai
- Zheng, Feng
- Wang, Shaoxian
- Zhu, Zi-Zhong
- Wu, Shunqing
- Li, Xiao-Fei
- visa fler...
- Cao, Xinrui
- Luo, Yi, 1965-
- visa färre...
- Om ämnet
-
- NATURVETENSKAP
- NATURVETENSKAP
- och Fysik
- och Den kondenserade ...
- Artiklar i publikationen
- ACS Omega
- Av lärosätet
- Kungliga Tekniska Högskolan
Sök utanför SwePub
- Sök vidare i:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - Nationella bibliotekssystem
- LIBRIS.kb.se
