First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors

Considering the importance of single-electron transistors (SETs), many studies have been done over the past decade to develop the use of SETs and improve their efficiency in both the experimental and theoretical fields. One of the most important challenges in SETs study is their optimization for use...

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Autores principales:	Morteza Bodaghzadeh, Mohamad Taghi Ahmadi, Mahan Ahmadi, Seyed Saeid Rahimian Koloor, Michal Petru, Fatemeh Esfandiari
Formato:	article
Lenguaje:	EN
Publicado:	IEEE 2021
Materias:	Single-electron transistor (SET) vitamin C vitamin B group charging energy metal-organic complex charge stability diagram (CSD) Electrical engineering. Electronics. Nuclear engineering TK1-9971
Acceso en línea:	https://doaj.org/article/8bc2cd14dfc649d58a968f6e1c3c2da7
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spelling	oai:doaj.org-article:8bc2cd14dfc649d58a968f6e1c3c2da72021-11-24T00:01:28ZFirst Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors2169-353610.1109/ACCESS.2021.3117521https://doaj.org/article/8bc2cd14dfc649d58a968f6e1c3c2da72021-01-01T00:00:00Zhttps://ieeexplore.ieee.org/document/9557292/https://doaj.org/toc/2169-3536Considering the importance of single-electron transistors (SETs), many studies have been done over the past decade to develop the use of SETs and improve their efficiency in both the experimental and theoretical fields. One of the most important challenges in SETs study is their optimization for use in human-compatible Nanobots for purposes such as drug delivery and destruction of cancer cells. Therefore, the use of human-compatible molecules as an island in these transistors is very significant. In this work, the density functional theory (DFT) & non-equilibrium Green’s function (NEGF) methods have been used for SETs modeling study of the first principle computations in the coulomb barricade system of SETs based upon the metal-organic complex of ascorbic acid (vitamin C), thiamine (vitamin B1), riboflavin (vitamin B2), nicotinic acid (vitamin B3), pantothenic acid (vitamin B5), pyridoxine (vitamin B6), biotin (vitamin B7) and folic acid (vitamin B9). The isolated molecules and SET structures are analyzed based upon premises of overall energies, ionization energies, affection energies, addition energies, charging energies, gate coupling constant, density of states (DOS) plot, and charge stability diagrams (CSDs). It’s established that riboflavin (vitamin B2) in the habitat of SET has a decline in the additional energy and has the lowest addition energy and lowest charging energy at the neutral charge in the SET environment along with higher conductivity as evident from the CSD comparison has been revealed. Summing up the results and analyses indicate that a riboflavin molecule is a suitable option for SETs with a molecular island compatible with the human body.Morteza BodaghzadehMohamad Taghi AhmadiMahan AhmadiSeyed Saeid Rahimian KoloorMichal PetruFatemeh EsfandiariIEEEarticleSingle-electron transistor (SET)vitamin Cvitamin B groupcharging energymetal-organic complexcharge stability diagram (CSD)Electrical engineering. Electronics. Nuclear engineeringTK1-9971ENIEEE Access, Vol 9, Pp 153548-153559 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Single-electron transistor (SET) vitamin C vitamin B group charging energy metal-organic complex charge stability diagram (CSD) Electrical engineering. Electronics. Nuclear engineering TK1-9971
spellingShingle	Single-electron transistor (SET) vitamin C vitamin B group charging energy metal-organic complex charge stability diagram (CSD) Electrical engineering. Electronics. Nuclear engineering TK1-9971 Morteza Bodaghzadeh Mohamad Taghi Ahmadi Mahan Ahmadi Seyed Saeid Rahimian Koloor Michal Petru Fatemeh Esfandiari First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
description	Considering the importance of single-electron transistors (SETs), many studies have been done over the past decade to develop the use of SETs and improve their efficiency in both the experimental and theoretical fields. One of the most important challenges in SETs study is their optimization for use in human-compatible Nanobots for purposes such as drug delivery and destruction of cancer cells. Therefore, the use of human-compatible molecules as an island in these transistors is very significant. In this work, the density functional theory (DFT) & non-equilibrium Green’s function (NEGF) methods have been used for SETs modeling study of the first principle computations in the coulomb barricade system of SETs based upon the metal-organic complex of ascorbic acid (vitamin C), thiamine (vitamin B1), riboflavin (vitamin B2), nicotinic acid (vitamin B3), pantothenic acid (vitamin B5), pyridoxine (vitamin B6), biotin (vitamin B7) and folic acid (vitamin B9). The isolated molecules and SET structures are analyzed based upon premises of overall energies, ionization energies, affection energies, addition energies, charging energies, gate coupling constant, density of states (DOS) plot, and charge stability diagrams (CSDs). It’s established that riboflavin (vitamin B2) in the habitat of SET has a decline in the additional energy and has the lowest addition energy and lowest charging energy at the neutral charge in the SET environment along with higher conductivity as evident from the CSD comparison has been revealed. Summing up the results and analyses indicate that a riboflavin molecule is a suitable option for SETs with a molecular island compatible with the human body.
format	article
author	Morteza Bodaghzadeh Mohamad Taghi Ahmadi Mahan Ahmadi Seyed Saeid Rahimian Koloor Michal Petru Fatemeh Esfandiari
author_facet	Morteza Bodaghzadeh Mohamad Taghi Ahmadi Mahan Ahmadi Seyed Saeid Rahimian Koloor Michal Petru Fatemeh Esfandiari
author_sort	Morteza Bodaghzadeh
title	First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
title_short	First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
title_full	First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
title_fullStr	First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
title_full_unstemmed	First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors
title_sort	first principal simulation study of human body compatible molecular single electron transistors
publisher	IEEE
publishDate	2021
url	https://doaj.org/article/8bc2cd14dfc649d58a968f6e1c3c2da7
work_keys_str_mv	AT mortezabodaghzadeh firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors AT mohamadtaghiahmadi firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors AT mahanahmadi firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors AT seyedsaeidrahimiankoloor firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors AT michalpetru firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors AT fatemehesfandiari firstprincipalsimulationstudyofhumanbodycompatiblemolecularsingleelectrontransistors
_version_	1718416107288657920

First Principal Simulation Study of Human Body Compatible Molecular Single Electron Transistors

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