Surface Engineering of the Mechanical Properties of Molecular Crystals via an Atomistic Model for Computing the Facet Stress Response of Solids

Mubarak Almehairbi; Vikram C Joshi; Ahamad Irfan; Zeinab M Saeed; Tamador Alkhidir; Aya M Abdelhaq; Praveen B Managutti; Bhausaheb Dhokale; Thaksen Jadhav; Changquan Calvin Sun; Sharmarke Mohamed

doi:10.1002/chem.202401982

Surface Engineering of the Mechanical Properties of Molecular Crystals via an Atomistic Model for Computing the Facet Stress Response of Solids

Chemistry. 2024 Jul 5;30(38):e202401982. doi: 10.1002/chem.202401982.

Authors

Mubarak Almehairbi¹, Vikram C Joshi², Ahamad Irfan¹, Zeinab M Saeed^{1

3}, Tamador Alkhidir^{1

3}, Aya M Abdelhaq¹, Praveen B Managutti^{1

4}, Bhausaheb Dhokale^{1

5}, Thaksen Jadhav¹, Changquan Calvin Sun², Sharmarke Mohamed^{1

4

3}

Affiliations

¹ Department of Chemistry, Green Chemistry & Materials Modelling Laboratory, Khalifa University of Science and Technology, P. O. Box, 127788, Abu Dhabi, UAE.
² Pharmaceutical Materials Science and Engineering Laboratory, Department of Pharmaceutics, College of Pharmacy, University of Minnesota, Minneapolis, Minnesota, 55455, USA.
³ Center for Catalysis and Separations, Khalifa University of Science and Technology, P. O. Box 127788, Abu Dhabi, UAE.
⁴ Chemical Crystallography Laboratory, Khalifa University of Science and Technology, P. O. Box 127788, Abu Dhabi, UAE.
⁵ Department of Chemistry, University of Wyoming, Laramie, Wyoming, 82071, USA.

PMID: 38970165
DOI: 10.1002/chem.202401982

Abstract

Invited for the cover of this issue are Mubarak Almehairbi, Vikram C. Joshi, Changquan Calvin Sun and Sharmarke Mohamed. The image depicts the digital exploration of the mechanical properties of crystals on specific facets that may be of interest for materials applications by "dialing-in" their stress response. Read the full text of the article at 10.1002/chem.202400779.