Interpreting core-level spectra of oxidizing phosphorene: Theory and experiment

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
发表期刊	PHYSICAL REVIEW B
ISSN	1098-0121
卷号	92 期号:12 页码:-
摘要	We 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.
部门归属	[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
资助者	National Natural Science Foundation of China [51331006]; Key Research Program of Chinese Academy of Sciences [KGZD-EW-T06]; University of North Carolina Chapel Hill
收录类别	sci
语种	英语
WOS记录号	WOS:000360962300006
引用统计	被引频次：33[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/74926
专题	中国科学院金属研究所
通讯作者	tomanek@pa.msu.edu
推荐引用方式 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):-.