Bandgap Shrinkage and Charge Transfer in 2D Layered SnS2 Doped with V for Photocatalytic Efficiency Improvement

doi:10.1002/smll.202105076

淡江大學機構典藏 > 理學院 > 尖端材料科學學士學位學程 > 期刊論文 > Item 987654321/124625

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题名:	Bandgap Shrinkage and Charge Transfer in 2D Layered SnS2 Doped with V for Photocatalytic Efficiency Improvement
作者:	Wang, Hsiao-tsu
关键词:	band-gap shrinkage;charge transfer;density functional theory;resonant inelastic X-ray scattering;V-doped 2D layered SnS 2;X-ray absorption
日期:	2021-11-20
上传时间:	2023-10-11 12:05:26 (UTC+8)
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 VO and VS bonds which form the intercalation of tetrahedral OVS 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 OVS site intercalated in the vdW gap, highlighting the CT from V to ligands in V-doped SnS2.
關聯:	Small 18(2),　2105076
DOI:	10.1002/smll.202105076
显示于类别:	[尖端材料科學學士學位學程] 期刊論文

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