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author:

Hou, Simin (Hou, Simin.) [1] | Li, Qiaohong (Li, Qiaohong.) [2] | Ding, Qing-Rong (Ding, Qing-Rong.) [3] | Kang, Yao (Kang, Yao.) [4] | Zhang, Jian (Zhang, Jian.) [5] | Zhang, Lei (Zhang, Lei.) [6]

Indexed by:

EI

Abstract:

Two heterometal-oxo Ag2Ti10 (PTC-221) and Ag4Ti8 (PTC-222) clusters were successfully synthesized and characterized, with the doped Ag atoms surrounded by the Ti-O core and exposed to the cluster surface, respectively. Density functional theory (DFT) calculations were carried out to study the electronic structures of PTC-221 and PTC-222, including the frontier orbitals and partial density of states (PDOS). The solid-state UV-vis absorption spectra of PTC-221 and PTC-222 were also recorded. Interestingly, PTC-221 shows intense visible light absorption with an absorption edge around 590 nm and exhibits good photocurrent response in the visible region. This journal is © The Royal Society of Chemistry.

Keyword:

Density functional theory Electronic structure Light absorption Silver Ultraviolet spectroscopy

Community:

  • [ 1 ] [Hou, Simin]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China
  • [ 2 ] [Hou, Simin]College of Chemistry, Fuzhou University, Fuzhou, Fujian; 350116, China
  • [ 3 ] [Li, Qiaohong]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China
  • [ 4 ] [Ding, Qing-Rong]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China
  • [ 5 ] [Kang, Yao]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China
  • [ 6 ] [Zhang, Jian]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China
  • [ 7 ] [Zhang, Lei]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian; 350002, China

Reprint 's Address:

  • [zhang, lei]state key laboratory of structural chemistry, fujian institute of research on the structure of matter, chinese academy of sciences, fuzhou, fujian; 350002, china

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Source :

Dalton Transactions

ISSN: 1477-9226

Year: 2020

Issue: 31

Volume: 49

Page: 11005-11009

4 . 3 9

JCR@2020

3 . 5 0 0

JCR@2023

ESI HC Threshold:160

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 9

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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