A density functional study of the photocatalytic degradation of polycaprolactone by the decatungstate anion in acetonitrile solution

Author:

Minezawa Noriyuki1ORCID,Suzuki Kosuke2ORCID,Okazaki Susumu1

Affiliation:

1. Department of Applied Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwanoha, Chiba 277-8589, Japan

2. Department of Applied Chemistry, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

Abstract

Density functional theory calculations reveal that decatungstate (W10O324−) photocatalyst can degrade polyester in a one-step hydrogen atom abstraction or two-step process (single electron transfer followed by proton transfer).

Funder

Moonshot Research and Development Program

Publisher

Royal Society of Chemistry (RSC)

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