Modeling Uranyl Adsorption on MoS2/Mo2CTx Heterostructures Using DFT and BOMD Methods

Author:

Meng Cheng12,Shu Weihui1,Zhao Kun3ORCID,Yan Chunpei12,Li Zuojia12ORCID,Wei Qianglin2,Wang Minjia4,Liu Yunhai12ORCID,Zhang Zhibin12ORCID

Affiliation:

1. Jiangxi Province Key Laboratory of Polymer Micro/Nano Manufacturing and Devices, East China University of Technology, Nanchang, Jiangxi 330013, China

2. State Key Laboratory of Nuclear Resources and Environment, East China University of Technology, Nanchang, Jiangxi 330013, China

3. State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals, Lanzhou University of Technology, Lanzhou, Gansu 730050, China

4. School of Civil Engineering and Architecture, Zhejiang Sci-Tech University, Hangzhou, Zhejiang 310018, China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Jiangxi Province

Jiangxi Province Key Laboratory of Polymer Micro/Nano Manufacturing and Devices

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

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