Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy

Author:

Shiery Richard C.1,Fulton John L.2ORCID,Balasubramanian Mahalingam3ORCID,Nguyen Manh-Thuong2,Lu Jun-Bo45,Li Jun45,Rousseau Roger2ORCID,Glezakou Vassiliki-Alexandra2ORCID,Cantu David C.1ORCID

Affiliation:

1. Chemical and Materials Engineering, University of Nevada, Reno, Reno, Nevada 89557, United States

2. Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

3. Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, United States

4. Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China

5. Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China

Funder

Basic Energy Sciences

University of Nevada, Reno

American Chemical Society Petroleum Research Fund

College of Engineering, University of Nevada, Reno

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

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