DataVXThe Journal of Physical Chemistry CPaper
journal article·2015-02-05

Sulfur and Silicon Doping in Ag3PO4

Pakpoom Reunchan, Naoto Umezawa

The Journal of Physical Chemistry C· Volume 119· Issue 5
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Source abstract

Abstract

Silver orthophosphate (Ag 3 PO 4 ) is known as a highly active visible-light sensitized photocatalyst, yet its doping effects on electric properties have not been well understood. Using hybrid density-functional calculations, we study possibilities for n -type and p -type doping in Ag 3 PO 4 . It is found that a sulfur substituted for phosphorus (S P ) has a relatively low formation energy (high solubility) and acts as a shallow donor in any growth conditions examined. Whereas, a substitutional silicon at phosphorus site (Si P ) is a deep acceptor and its solubility is low, indicating that p -type conductivity is unlikely to occur by Si doping. Our results suggest that sulfur doping is a promising approach for the realization of n -type Ag 3 PO 4 .
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Research context

Catalysis & surfaces

OpenAlex topics: Advanced Photocatalysis Techniques · Chalcogenide Semiconductor Thin Films · Gas Sensing Nanomaterials and Sensors

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Environmental Remediation Materials Unit, National Institute for Materials Sciences, Ibaraki 305-0047, Japan

Department of Physics, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand

PRESTO, Japan Science and Technology Agency (JST), 4-1-8 Honcho Kawaguchi, Saitama 332-0012, Japan

TU-NIMS Joint Research Center, School of Materials Science and Engineering, Tianjin University, 92 Weijin Road, Nankai District, Tianjin, P.R. China

Funding

Japan Science and Technology Agency · Institute for Promotion of Teaching Science and Technology, Kasetsart University · Faculty of Science, Kasetsart University

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