Theoretical study of high photocatalytic performance of Ag 3PO4 (Record no. 50221)

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control field 20250625160144.0
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Transcribing agency CICY
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Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-16046
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Title Theoretical study of high photocatalytic performance of Ag 3PO4
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Volume/sequential designation Physical Review B - Condensed Matter and Materials Physics, 83(3), p.035202, 2011
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Summary, etc. The recent discovery of an excellent photocatalyst, Ag3PO 4, motivated us to clarify the origin of its high performance. Our comprehensive study using density-functional-theory-based calculations has revealed that the formation of PO4 tetrahedral units with strong P-O bonds weakens the covalent nature of Ag-O bonds, inhibiting hybridization of Ag d and O p. This excludes the d character from the conduction-band minimum (CBM), leaving highly dispersive Ag s-Ag s hybrid bands. The delocalized charge distribution of the CBM results in a small effective mass of the electron, which is advantageous for the carrier transfer to surface. © 2011 American Physical Society.
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Topical term or geographic name entry element SOLAR ENERGY
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element SOLAR ENERGY
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Personal name Umezawa, N.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Shuxin, O.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Ye, J.
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Uniform Resource Identifier <a href="https://drive.google.com/file/d/1SkFsOxaEV3HdEVk0OKB0AVeB5N4OKEPa/view?usp=drivesdk">https://drive.google.com/file/d/1SkFsOxaEV3HdEVk0OKB0AVeB5N4OKEPa/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-16046 25.06.2025 25.06.2025 Documentos solicitados