ArticleJournal of molecular modeling2020
First principle approach to elucidate transport properties through L-glutamic acid-based molecular devices using symmetrical electrodes.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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1 citing paper in PubMed.
- Molecular electronics behaviour of L-aspartic acid using symmetrical metal electrodes.Journal of molecular modeling · 2021Article
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Abstract
Protein-based electronics is one of the emerging technology in which inventive electronic devices are being adduced and developed based on the selective actions of specific proteins. The explicit actions can be predicted if the building blocks of proteins (i.e., amino acids) are studied decorously. We emphasize our work on electronic transport properties of L-glutamic acid (i.e., L-amino acid) stringed to gold, silver, and copper electrodes, respectively, to form three distinct devices. For our calculations, we employ NEGF-DFT approach using self-consistent function. Electronic coupling and tunneling barriers between the molecule and the electrodes have been emphasized with an inception of delocalization of molecular orbitals within the device. We observe strong correlation between tunneling barrier and Mulliken charge transfer between molecule and electrodes. The asymmetrical carbon chain (-CH
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