First principle approach to elucidate transport properties through l -glutamic acid-based molecular devices using symmet
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ORIGINAL PAPER
First principle approach to elucidate transport properties through L-glutamic acid-based molecular devices using symmetrical electrodes Gaurav Sikri 1 & Ravinder Singh Sawhney 1 Received: 1 August 2019 / Accepted: 23 February 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
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 (-CH2) within the molecule exhibits negative differential resistance (NDR) and rectification ratio. The device using molecule with copper electrodes exhibits the highest peak to valley current ratio of 1.84. The rectification ratio of the device with gold, silver, and copper electrodes is 2.35, 2.25, and 15.62, respectively, at finite bias. These results yield fresh insight on the potential of L-glutamic acid like bio-molecule in the emerging field of proteotronics. Keywords Proteotronics . L-glutamic acid . Molecular rectifier . HOMO . LUMO . Negative differential resistance
Introduction Predicting the electron transport through bio-molecules has received much attention in the past decade [1–10]. The aim of the researchers is to incorporate such molecules into solidstate junctions to form bio-nanoelectronic devices [11]. These devices must favor the redox and optical functionalities of biological system. Electrical charges in such systems are generally transported by ions. The redox processes in bio-systems serve as donor and acceptor electrical contacts. In fact, experimental evidence has been shown to find fundamental relation between the redox process and electron transport properties of the biological system [12, 13]. Due to rich electrical and
* Gaurav Sikri [email protected] Ravinder Singh Sawhney [email protected] 1
Department of Electronics Technology, Guru Nanak Dev University, Amritsar, India
optical properties, protein-based molecular devices have grabbed the remarkable attention of the researchers. Electronic rectification in protein-based devices has opened the door to a new research area for bio-nanoelectronic [14]. Moreover, proteotronics have been introduced as one of the upcoming branches of nanoelectronic, where researchers investigate the electronic transport properties of proteins f
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