Fullerene-Based Switching Molecular Diodes Controlled by
Oriented External Electric Fields

J 2019

Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields

JAROS, Adam; Esmaeil FARAJPOUR BONAB; Michal STRAKA a Cina FOROUTANNEJAD

Základní údaje

Originální název

Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields

Autoři

JAROS, Adam (203 Česká republika); Esmaeil FARAJPOUR BONAB (364 Írán, domácí); Michal STRAKA (203 Česká republika) a Cina FOROUTANNEJAD (364 Írán, garant, domácí)

Vydání

Journal of the American Chemical Society, Washington, American Chemical Society, 2019, 0002-7863

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10403 Physical chemistry

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

Full Text

Impakt faktor

Impact factor: 14.612

Kód RIV

RIV/00216224:14310/19:00108161

Organizační jednotka

Přírodovědecká fakulta

DOI

http://dx.doi.org/10.1021/jacs.9b07215

UT WoS

000503917800023

EID Scopus

2-s2.0-85076278663

Klíčová slova anglicky

BASIS-SETS; ELECTRONICS; JUNCTIONS; DEVICES; DESIGN; C-60

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 20. 2. 2020 16:12, Mgr. Pavla Foltynová, Ph.D.

Anotace

V originále

Employing multiscale in silico modeling, we propose switching molecular diodes on the basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar molecules of general type MX (M: metal, X: nonmetal) to be used for data storage and processing. Here, we demonstrate for MX@C-70 systems that the relative orientation of enclosed MX with respect to a set of electrodes connected to the system can be controlled by application of oriented external electric field(s). We suggest systems with two- and four-terminal electrodes, in which the source and drain electrodes help the current to pass through the device and help the switching between the conductive states of FSD via applied voltage. The gate electrodes then assist the switching by effectively lowering the energy barrier between local minima via stabilizing the transition state of switching process if the applied voltage between the source and drain is insufficient to switch the MX inside the fullerene. Using nonequilibrium Greens function combined with density functional theory (DFT-NEGF) computations, we further show that conductivity of the studied MX@C-70 systems depends on the relative orientation of MX inside the cage with respect to the electrodes. Therefore, the orientation of the MX inside C-70 can be both enforced ("written") and retrieved ("read") by applied voltage. The studied systems thus behave like voltage-sensitive switching molecular diodes, which is reminiscent of a molecular memristor.

Návaznosti

GA17-07091S, projekt VaV

Název: Molekulární přepínače na bázi endohedrálních fullerenů

Investor: Grantová agentura ČR, Molekulární přepínače na bázi enhodhedrálních fullerenů

LM2015085, projekt VaV

Název: CERIT Scientific Cloud (Akronym: CERIT-SC)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CERIT Scientific Cloud

Citovat

JAROS, Adam; Esmaeil FARAJPOUR BONAB; Michal STRAKA a Cina FOROUTANNEJAD. Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields. Journal of the American Chemical Society. Washington: American Chemical Society, 2019, roč. 141, č. 50, s. 19644-19654. ISSN 0002-7863. Dostupné z: https://dx.doi.org/10.1021/jacs.9b07215.

@article{1624578,
   author = {Jaros, Adam and Farajpour Bonab, Esmaeil and Straka, Michal and Foroutannejad, Cina},
   article_location = {Washington},
   article_number = {50},
   doi = {http://dx.doi.org/10.1021/jacs.9b07215},
   keywords = {BASIS-SETS; ELECTRONICS; JUNCTIONS; DEVICES; DESIGN; C-60},
   language = {eng},
   issn = {0002-7863},
   journal = {Journal of the American Chemical Society},
   title = {Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields},
   url = {https://pubs.acs.org/doi/10.1021/jacs.9b07215},
   volume = {141},
   year = {2019}
}

TY  - JOUR
ID  - 1624578
AU  - Jaros, Adam - Farajpour Bonab, Esmaeil - Straka, Michal - Foroutannejad, Cina
PY  - 2019
TI  - Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields
JF  - Journal of the American Chemical Society
VL  - 141
IS  - 50
SP  - 19644-19654
EP  - 19644-19654
PB  - American Chemical Society
SN  - 00027863
KW  - BASIS-SETS
KW  - ELECTRONICS
KW  - JUNCTIONS
KW  - DEVICES
KW  - DESIGN
KW  - C-60
UR  - https://pubs.acs.org/doi/10.1021/jacs.9b07215
L2  - https://pubs.acs.org/doi/10.1021/jacs.9b07215
N2  - Employing multiscale in silico modeling, we propose switching molecular diodes on the basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar molecules of general type MX (M: metal, X: nonmetal) to be used for data storage and processing. Here, we demonstrate for MX@C-70 systems that the relative orientation of enclosed MX with respect to a set of electrodes connected to the system can be controlled by application of oriented external electric field(s). We suggest systems with two- and four-terminal electrodes, in which the source and drain electrodes help the current to pass through the device and help the switching between the conductive states of FSD via applied voltage. The gate electrodes then assist the switching by effectively lowering the energy barrier between local minima via stabilizing the transition state of switching process if the applied voltage between the source and drain is insufficient to switch the MX inside the fullerene. Using nonequilibrium Greens function combined with density functional theory (DFT-NEGF) computations, we further show that conductivity of the studied MX@C-70 systems depends on the relative orientation of MX inside the cage with respect to the electrodes. Therefore, the orientation of the MX inside C-70 can be both enforced ("written") and retrieved ("read") by applied voltage. The studied systems thus behave like voltage-sensitive switching molecular diodes, which is reminiscent of a molecular memristor.
ER  -

JAROS, Adam; Esmaeil FARAJPOUR BONAB; Michal STRAKA a Cina FOROUTANNEJAD. Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields. \textit{Journal of the American Chemical Society}. Washington: American Chemical Society, 2019, roč.~141, č.~50, s.~19644-19654. ISSN~0002-7863. Dostupné z: https://dx.doi.org/10.1021/jacs.9b07215.

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