材料科学
氧烷
带隙
密度泛函理论
兴奋剂
电子结构
价(化学)
掺杂剂
态密度
异质结
光电发射光谱学
X射线光电子能谱
分子物理学
凝聚态物理
光谱学
计算化学
化学
光电子学
核磁共振
物理
有机化学
量子力学
作者
A.R. Shelke,Hsiao‐Tsu Wang,J. W. Chiou,Indrajit Shown,Amr Sabbah,Kuang-Hung Chen,Shu-Ang Teng,I-An Lin,Chi-Cheng Lee,H. C. Hsueh,Yu-Hui Liang,Chao‐Hung Du,Priyanka L. Yadav,Sekhar C. Ray,Shang‐Hsien Hsieh,Chih‐Wen Pao,Huang-Ming Tsai,Chia-Hao Chen,Kuei‐Hsien Chen,Li‐Chyong Chen,Way‐Faung Pong
出处
期刊:Small
[Wiley]
日期:2021-11-20
卷期号:18 (2)
被引量:8
标识
DOI:10.1002/smll.202105076
摘要
Effects of electronic and atomic structures of V-doped 2D layered SnS2 are studied using X-ray spectroscopy for the development of photocatalytic/photovoltaic applications. Extended X-ray absorption fine structure measurements at V K-edge reveal the presence of VO and VS bonds which form the intercalation of tetrahedral OVS sites in the van der Waals (vdW) gap of SnS2 layers. X-ray absorption near-edge structure (XANES) reveals not only valence state of V dopant in SnS2 is ≈4+ but also the charge transfer (CT) from V to ligands, supported by V Lα,β resonant inelastic X-ray scattering. These results suggest V doping produces extra interlayer covalent interactions and additional conducting channels, which increase the electronic conductivity and CT. This gives rapid transport of photo-excited electrons and effective carrier separation in layered SnS2 . Additionally, valence-band photoemission spectra and S K-edge XANES indicate that the density of states near/at valence-band maximum is shifted to lower binding energy in V-doped SnS2 compare to pristine SnS2 and exhibits band gap shrinkage. These findings support first-principles density functional theory calculations of the interstitially tetrahedral OVS site intercalated in the vdW gap, highlighting the CT from V to ligands in V-doped SnS2 .
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