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Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes
Dehhaghi, Y., Kiakojouri, A., Frank, I. & Nadimi, E., 2 Sept 2024, In: CHEMPHYSCHEM. 25, 17, e202400318.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Gas Sensing Properties of Graphene/MoS/Graphene Lateral Heterostructure: A First Principles Investigation
Ghayyem, F., Kiakojouri, A., Frank, I. & Nadimi, E., 1 Oct 2024, In: IEEE sensors journal. 24, 22, p. 36334-36341 8 p.Research output: Contribution to journal › Article › Research › peer review
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Ab-initio molecular dynamics simulation of condensed-phase reactivity: The electrolysis of ammonia and ethanimine in aquatic carbon dioxide solutions
Gordiy, I., Steinbach, L. & Frank, I., 11 Oct 2021, In: Energies. 14, 20, 6510.Research output: Contribution to journal › Article › Research › peer review
Open Access
Projects
- 1 Active
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LISBETH: Improving the Performance of Lithium Sulfur Batteries Employing First Principles Guided Approaches
Frank, I. (Principal Investigator)
1 Jan 2024 → 30 Jun 2026
Project: Research