Elucidation of polyethylene glycol adsorption at the solid–H<sub>2</sub>O(l) interfaces of anatase TiO<sub>2</sub>(101) using density functional theory and molecular dynamics simulations-Reference-Cited by-同舟云学术

Elucidation of polyethylene glycol adsorption at the solid–H₂O(l) interfaces of anatase TiO₂(101) using density functional theory and molecular dynamics simulations

Published:2024 Issue:2 Volume:12 Page:932-942
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Chun Hee-Joon¹^ORCID,Kim Kang-Sahn¹,Ha Giwoong¹

Affiliation:

1. Corporate R&D Institute, Samsung Electro-Mechanics Co., Ltd, 150, Maeyoung-ro, Yeongtong-gu, Suwon, Gyeonggi-do 16674, Republic of Korea

Abstract

Polyethylene glycol adsorption on anatase TiO2(101) in the presence of liquid water was investigated using the free energy analysis of a combined density functional theory and classical molecular dynamics simulations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/TA/D3TA05336A

Reference89 articles.

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5. A comprehensive review on green synthesis of titanium dioxide nanoparticles and their diverse biomedical applications

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