Theoretical study of electron transport throughout some molecular structures

Abbas, Mohammed A.; Hanoon, Falah H.; Al-Badry, Lafy F.

doi:10.1016/j.spmi.2017.06.038

Cited by 7 publications

(3 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The on-site energies of the carbon atoms in the pyrene molecule were , the energy levels of donor and acceptor were , the width of the conduction band of left and right leads is define by where . The nearestneighbor hopping strengths among atomic sites are (Abbas et al, 2017), and coupling interactions between donor with left lead and acceptor with right lead , coupling interactions between donor with the first atomic site and acceptor with the second atomic site are .…”

Section: Resultsmentioning

confidence: 99%

“…the following formula(Abbas et al, 2017;Ballentine, 2014),̇ ( ) ( ) ( ) ( )The equations of motion can be written as:̇ ( ) ( ) ( ) ( ) ∑ ( ) ( ) ̇ ( ) ( ) ( ) ( ) ∑ ( ) ( ) ̇ ( ) ∑ ( ) ( ) ( ) ̇ ( ) ∑ ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( ) ( ) ̇ ( ) ( ) ( ) ( ) ( )The system approaches a steady state at long time, where ( ) are time dependent coefficients which can become time independent coefficients by using formula (Lafy F Al-Badry, 2017; Mohammed A Abbas, 2017)…”

mentioning

confidence: 99%

See 1 more Smart Citation

Effect of Direct Coupling on Electronic Transport and Thermoelectric Properties of Single Pyrene Molecule

Mutier¹,

Al-Badry²

2021

UTJsci

View full text Add to dashboard Cite

Electron transport characteristics through a single pyrene molecule, which connects with two metallic electrodes, are investigated by using of steady-state theoretical formalism. The transmission probability, I-V characteristics and thermoelectric properties are studied according to the influence of direct coupling between donor and acceptor. The new path between the donor and acceptor provides a direct route for the transfer of electrons between the donor and the acceptor, as well as the transfer of electrons across the molecule. We find the electronic transport properties improve by increasing donor-acceptor coupling factor.

show abstract

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

Effect of Direct Coupling on Electronic Transport and Thermoelectric Properties of Single Pyrene Molecule

Mutier¹,

Al-Badry²

2021

UTJsci

View full text Add to dashboard Cite

show abstract

“…According to the above, in the literature, we find very interesting analyses of thermoelectric and magnetic properties in molecular systems, such as DNA chains, benzene molecules, biphenyl molecules [11][12][13][14], and especially theoretical-experimental studies of these properties through the molecular system diphenyl-ether. Motivated by the particular characteristics of this last diphenyl-ether molecular system, especially those reported by Dadosh et al (2005), where they characterized it as a conducting molecular device, we analyze its thermoelectric properties, taking into account different structural configurations.…”

Section: Introductionmentioning

confidence: 93%

Theoretical Study of Thermoelectric Properties of a Single Molecule of Diphenyl-Ether

et al. 2023

View full text Add to dashboard Cite

Taking into consideration the research that has been conducted on the optical and electrical properties of molecular systems, especially the good thermoelectric energy conversion at a nanometric scale that such systems have presented, here we present a new alternative by using a particular diphenyl-ether molecule as a functional device. Such a molecular system is modeled as a planar segment coupled to two electrodes in the first-neighbor approximation within a tight-binding Hamiltonian. We study the electrical and thermal properties of diphenyl-ether molecules such as the electric current, electrical and thermal conductance, Seebeck coefficient, and figure of merit, in the strong and weak coupling regimes, considering different structural configurations and variations with temperature. Our results could be valuable for laboratory applications and/or verification since we characterize the diphenyl-ether molecule as a semiconductor device for different structural models.

show abstract