IMR OpenIR
Interpreting core-level spectra of oxidizing phosphorene: Theory and experiment
Yang, Teng; Dong, Baojuan; Wang, Jizhang; Zhang, Zhidong; Guan, Jie; Kuntz, Kaci; Warren, Scott C.; Tomanek, David; tomanek@pa.msu.edu
2015
Source PublicationPHYSICAL REVIEW B
ISSN1098-0121
Volume92Issue:12Pages:-
AbstractWe combine ab initio density functional theory calculations with the equivalent cores approximation to determine core-level binding-energy shifts at phosphorus sites caused by oxidation of phosphorene. We find that presence of oxygen increases the core-level binding energies of P atoms and expect binding-energy shifts of up to 6 eV in highly defective geometries. We have identified likely binding geometries of oxygen that help to interpret the observed core-level photoemission spectra in samples at different stages of oxidation and allow us to determine the fractions of specific local geometries.
description.department[yang, teng ; dong, baojuan ; wang, jizhang ; zhang, zhidong ; guan, jie ; tomanek, david] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [guan, jie ; tomanek, david] michigan state univ, dept phys & astron, e lansing, mi 48824 usa ; [kuntz, kaci ; warren, scott c.] univ n carolina, dept chem, chapel hill, nc 27599 usa ; [warren, scott c.] univ n carolina, dept appl phys sci, chapel hill, nc 27599 usa
Funding OrganizationNational Natural Science Foundation of China [51331006]; Key Research Program of Chinese Academy of Sciences [KGZD-EW-T06]; University of North Carolina Chapel Hill
Indexed Bysci
Language英语
WOS IDWOS:000360962300006
Citation statistics
Cited Times:29[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/74926
Collection中国科学院金属研究所
Corresponding Authortomanek@pa.msu.edu
Recommended Citation
GB/T 7714
Yang, Teng,Dong, Baojuan,Wang, Jizhang,et al. Interpreting core-level spectra of oxidizing phosphorene: Theory and experiment[J]. PHYSICAL REVIEW B,2015,92(12):-.
APA Yang, Teng.,Dong, Baojuan.,Wang, Jizhang.,Zhang, Zhidong.,Guan, Jie.,...&tomanek@pa.msu.edu.(2015).Interpreting core-level spectra of oxidizing phosphorene: Theory and experiment.PHYSICAL REVIEW B,92(12),-.
MLA Yang, Teng,et al."Interpreting core-level spectra of oxidizing phosphorene: Theory and experiment".PHYSICAL REVIEW B 92.12(2015):-.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Yang, Teng]'s Articles
[Dong, Baojuan]'s Articles
[Wang, Jizhang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Yang, Teng]'s Articles
[Dong, Baojuan]'s Articles
[Wang, Jizhang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Yang, Teng]'s Articles
[Dong, Baojuan]'s Articles
[Wang, Jizhang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.