Understanding the adsorptive interactions of arsenate–iron nanoparticles with curved fullerene-like sheets in activated carbon using a quantum mechanics/molecular mechanics computational approach

Physical Chemistry Chemical Physics - Tập 19 Số 22 - Trang 14262-14268 - 2017
Nguyen Ngoc Ha1,2, Le Minh Cam2, Nguyen Thi Thu Ha2, Bee-Min Goh3, Martin Saunders4, Zhong-Tao Jiang5, Mohammednoor Altarawneh6, Bogdan Z. Dlugogorski6, Mohanad El-Harbawi7, Chun-Yang Yin1
1School of Science and Engineering, Teesside University, Borough Road, Middlesbrough TS1 3BA, UK
2Department of Physical Chemistry, Faculty of Chemistry Hanoi, National University of Education Hanoi Vietnam, Vietnam
3School of Chemical Engineering and Advanced Materials, Newcastle University, NE1 7RU, UK
4Centre for Microscopy, Characterisation and Analysis (CMCA), The University of Western Australia (M010), 35 Stirling Highway, Crawley WA 6009, Australia
5Surface Analysis and Materials Engineering Research Group, School of Engineering & Information Technology, Murdoch University, Murdoch, Western Australia 6150, Australia
6School of Engineering & Information Technology, Murdoch University, Murdoch, Western Australia 6150, Australia
7Chemical Engineering Department, King Saud University, Riyadh, 11421, Saudi Arabia

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