PMID- 34596398
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20211019
IS  - 1520-510X (Electronic)
IS  - 0020-1669 (Linking)
VI  - 60
IP  - 20
DP  - 2021 Oct 18
TI  - Bi(4)AO(6)Cl(2) (A = Ba, Sr, Ca) with Double and Triple Fluorite Layers for 
      Visible-Light Water Splitting.
PG  - 15667-15674
LID - 10.1021/acs.inorgchem.1c02344 [doi]
AB  - Layered oxyhalides containing double or triple fluorite layers are promising 
      visible-light-responsive water-splitting photocatalysts with unique band 
      structures. Herein, we report on the synthesis, structure, and photocatalytic 
      property of Bi(4)BaO(6)Cl(2) (I4/mmm) with alternating double (Bi(2)O(2)) and 
      triple (Bi(2)BaO(4)) fluorite layers, which was extracted from the 
      crystallographic database on the basis of Madelung potential calculations. 
      Rietveld refinements from powder X-ray and neutron diffraction data revealed the 
      presence of cationic disorder between Bi(2)O(2) and Bi(2)BaO(4) layers, leading 
      to electrostatic stabilization. DFT calculations suggested that photogenerated 
      electrons and holes flow through the double and triple layers, respectively, 
      which may suppress electron-hole recombination. We expanded this double-triple 
      system to include Bi(4)CaO(6)Cl(2) and Bi(4)SrO(6)Cl(2) with orthorhombic 
      distortions and different degrees of cationic disorder, which allow band gap 
      tuning. All the double-triple compounds Bi(4)AO(6)Cl(2) showed stable 
      water-splitting photocatalysis in the presence of a sacrificial reagent.
FAU - Zhong, Chengchao
AU  - Zhong C
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Kato, Daichi
AU  - Kato D
AUID- ORCID: 0000-0002-1600-4095
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Ogawa, Kanta
AU  - Ogawa K
AUID- ORCID: 0000-0002-6995-9848
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Tassel, Cedric
AU  - Tassel C
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Izumi, Fujio
AU  - Izumi F
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Suzuki, Hajime
AU  - Suzuki H
AUID- ORCID: 0000-0002-8891-2033
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Kawaguchi, Shogo
AU  - Kawaguchi S
AD  - SPring-8, Japan Synchrotron Radiation Research Institute, Hyogo 679-5198, Japan.
FAU - Saito, Takashi
AU  - Saito T
AD  - Institute of Materials Structure Science, High Energy Accelerator Research 
      Organization (KEK), Tokai, Ibaraki 319-1106, Japan.
AD  - Materials and Life Science Division, J-PARC Center, Tokai, Naka, Ibaraki 
      319-1195, Japan.
AD  - SOKENDAI (School of High Energy Accelerator Science, the Graduate University for 
      Advanced Studies), Tokai, Ibaraki 319-1195, Japan.
FAU - Saeki, Akinori
AU  - Saeki A
AUID- ORCID: 0000-0001-7429-2200
AD  - Department of Applied Chemistry, Graduate School of Engineering, Osaka 
      University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan.
FAU - Abe, Ryu
AU  - Abe R
AUID- ORCID: 0000-0001-8592-076X
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
FAU - Kageyama, Hiroshi
AU  - Kageyama H
AUID- ORCID: 0000-0002-3911-9864
AD  - Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, 
      Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan.
LA  - eng
PT  - Journal Article
DEP - 20211001
PL  - United States
TA  - Inorg Chem
JT  - Inorganic chemistry
JID - 0366543
SB  - IM
EDAT- 2021/10/02 06:00
MHDA- 2021/10/02 06:01
CRDT- 2021/10/01 12:13
PHST- 2021/10/02 06:00 [pubmed]
PHST- 2021/10/02 06:01 [medline]
PHST- 2021/10/01 12:13 [entrez]
AID - 10.1021/acs.inorgchem.1c02344 [doi]
PST - ppublish
SO  - Inorg Chem. 2021 Oct 18;60(20):15667-15674. doi: 10.1021/acs.inorgchem.1c02344. 
      Epub 2021 Oct 1.