@article {https://doi.org/10.1002/smll.202105076,
	title = {Bandgap Shrinkage and Charge Transfer in 2D Layered SnS2 Doped with V for Photocatalytic Efficiency Improvement},
	journal = {Small},
	volume = {n/a},
	number = {n/a},
	year = {2022},
	note = {<p>n/a</p>
},
	pages = {2105076},
	abstract = {<p>Abstract 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.</p>
},
	keywords = {band-gap shrinkage, charge transfer, Density functional theory, resonant inelastic X-ray scattering, V-doped 2D layered SnS2, X-ray absorption},
	doi = {https://doi.org/10.1002/smll.202105076},
	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/smll.202105076},
	author = {Shelke, Abhijeet R. and Wang, Hsiao-Tsu and Chiou, Jau-Wern and Indrajit Shown and Sabbah, Amr and Chen, Kuang-Hung and Teng, Shu-Ang and Lin, I-An and Lee, Chi-Cheng and Hsueh, Hung-Chung and Liang, Yu-Hui and Du, Chao-Hung and Yadav, Priyanka L. and Ray, Sekhar C. and Hsieh, Shang-Hsien and Pao, Chih-Wen and Tsai, Huang-Ming and Chen, Chia-Hao and Kuei-Hsien Chen and Li-Chyong Chen and Pong, Way-Faung}
}
