Density Functional Theory (DFT) as a Nondestructive Probe in the Field of Art Conservation: Small-Molecule Adsorption on Aragonite Surfaces-Reference-Cited by-同舟云学术

Density Functional Theory (DFT) as a Nondestructive Probe in the Field of Art Conservation: Small-Molecule Adsorption on Aragonite Surfaces

Published:2022-03-08 Issue:11 Volume:14 Page:13858-13871
ISSN:1944-8244
Container-title:ACS Applied Materials & Interfaces
language:en
Short-container-title:ACS Appl. Mater. Interfaces

Author:

Heimann Jessica E.¹^ORCID,Tucker Jasper D.¹,Huff Layla S.²,Kim Ye Rin³,Ali Jood⁴,Stroot M. Kaylor⁵,Welch Xavier J.⁶,White Harley E.⁵,Wilson Marcus L.⁷,Wood Cecelia E.⁸^ORCID,Gates Glenn A.⁹,Rosenzweig Zeev¹^ORCID,Bennett Joseph W.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of Maryland Baltimore County, Baltimore, Maryland 21250, United States

2. Department of History, Geography, and Museum Studies, Morgan State University, Baltimore, Maryland 21251, United States

3. Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States

4. Mechanical Engineering Department, University of Maryland Baltimore County, Baltimore, Maryland 21250, United States

5. Department of Chemistry, McDaniel College, Westminster, Maryland 21157, United States

6. Biology Department, Morgan State University, Baltimore, Maryland 21251, United States

7. Department of Chemistry, Towson University, Towson, Maryland 21252, United States

8. Department of Chemistry and Biochemistry, St. Mary’s College of Maryland, St. Mary’s City, Maryland 20686, United States

9. Walters Art Museum, Baltimore, Maryland 21201, United States

Funder

Andrew W. Mellon Foundation

Publisher

American Chemical Society (ACS)

Subject

General Materials Science

Link

https://pubs.acs.org/doi/pdf/10.1021/acsami.1c23695

Reference88 articles.

1. New Highly Polar Semiconductor Ferroelectrics throughd8Cation-O Vacancy Substitution into PbTiO3: A Theoretical Study

2. Battery materials for ultrafast charging and discharging

3. Accurate Band Gaps for Semiconductors from Density Functional Theory

4. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

5. Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT

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