Probing calcium solvation by XAS, MD and DFT calculations-Reference-Cited by-同舟云学术

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Probing calcium solvation by XAS, MD and DFT calculations

Published:2020 Issue:46 Volume:10 Page:27315-27321
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yang Feipeng¹²³⁴⁵^ORCID,Liu Yi-Sheng¹²³⁴⁵^ORCID,Feng Xuefei¹²³⁴⁵,Qian Kun⁶⁷⁸²^ORCID,Kao Li Cheng³⁴⁵²,Ha Yang³⁴⁵²^ORCID,Hahn Nathan T.¹²⁹¹⁰¹¹^ORCID,Seguin Trevor J.¹²¹²⁴⁵,Tsige Mesfin⁶⁷⁸²^ORCID,Yang Wanli³⁴⁵²^ORCID,Zavadil Kevin R.¹²⁹¹⁰¹¹^ORCID,Persson Kristin A.¹²¹²⁴⁵,Guo Jinghua¹²³⁴⁵^ORCID

Affiliation:

1. Joint Center for Energy Storage Research

2. USA

3. Advanced Light Source

4. Lawrence Berkeley National Laboratory

5. Berkeley

6. Department of Polymer Science

7. The University of Akron

8. Akron

9. Material, Physical and Chemical Sciences Center

10. Sandia National Laboratories

11. Albuquerque

12. Energy Technologies Area

Abstract

The solvation shell structures of Ca²⁺ in solutions are probed by calcium L-edge soft X-ray XAS and DFT/MD simulations.

Funder

National Science Foundation

Office of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA05905F

Reference34 articles.

1. Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries

2. Taking Advantage of Disorder: Amorphous Calcium Carbonate and Its Roles in Biomineralization

3. Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I: The Perspective on Local Structure from EXAFS and XANES

4. The grinding tip of the sea urchin tooth exhibits exquisite control over calcite crystal orientation and Mg distribution

5. Transformation mechanism of amorphous calcium carbonate into calcite in the sea urchin larval spicule

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