Atomic-scale understanding of Se(IV) surface complexation on gibbsite: Insights from first-principles molecular dynamics-Reference-Cited by-同舟云学术

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Atomic-scale understanding of Se(IV) surface complexation on gibbsite: Insights from first-principles molecular dynamics

Published:2023-11 Issue: Volume:638 Page:121716
ISSN:0009-2541
Container-title:Chemical Geology
language:en
Short-container-title:Chemical Geology

Author:

Xi Mengning,Zhang Chi,Ma Haonan,Zhou Zhiyu,Zhu Kecheng,Jia Hanzhong

Funder

National Natural Science Foundation of China

Northwest A and F University

Center for High Performance Computing, Shanghai Jiao Tong University

Publisher

Elsevier BV

Subject

Geochemistry and Petrology,Geology

Reference87 articles.

1. Characterization of acid–base properties of two gibbsite samples in the context of literature results;Adekola;J. Colloid Interface Sci.,2011

2. Ab initio molecular dynamics investigation of structural, dynamic and spectroscopic aspects of Se(VI) species in the aqueous environment;Borah;Phys. Chem. Chem. Phys.,2016

3. Ab initio molecular dynamics study of Se(IV) species in aqueous environment;Borah;Phys. Chem. Chem. Phys.,2016

4. Uptake mechanisms of selenium oxyanions during the ferrihydrite–hematite recrystallization;Börsig;Geochim. Cosmochim. Acta,2017

5. Adsorption mechanism of selenate and selenite on the binary oxide systems;Chan;Water Res.,2009

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