Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces

Author:

Tsendra Oksana12345,Boese A. Daniel6789ORCID,Isayev Olexandr1011125,Gorb Leonid131451516,Scott Andrea Michalkova17145,Hill Frances C.17145,Ilchenko Mykola M.15161819,Lobanov Victor20162119,Leszczynska Danuta22345,Leszczynski Jerzy12345ORCID

Affiliation:

1. Interdisciplinary Nanotoxicity Center

2. Department of Chemistry and Biochemistry

3. Jackson State University

4. Jackson

5. USA

6. Institute of Chemistry, Physical and Theoretical Chemistry

7. University of Graz

8. 8010 Graz

9. Austria

10. UNC Eshelman School of Pharmacy

11. University of North Carolina at Chapel Hill

12. Chapel Hill

13. HX5, LLC

14. Vicksburg

15. Institute of Molecular Biology and Genetics

16. National Academy of Sciences of Ukraine

17. U. S. Army Engineer Research and Development Center (ERDC)

18. Kyiv 03143

19. Ukraine

20. Chuiko Institute of Surface Chemistry

21. Kyiv 03164

22. Department of Civil and Environmental Engineering

Abstract

Adsorption energies of different nitrogen-containing compounds on two hydroxylated (001) and (100) quartz surfaces are computed.

Funder

Engineer Research and Development Center

Office of Naval Research

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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