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Long-Range Charge Transport in Linear Molecular Chains.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Long-Range Charge Transport in Linear Molecular Chains./
作者:	Lai-Liang, Francisco.
面頁冊數:	1 online resource (39 pages)
附註:	Source: Masters Abstracts International, Volume: 84-01.
Contained By:	Masters Abstracts International84-01.
標題:	Physical chemistry. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=29069180click for full text (PQDT)
ISBN:	9798835526512

Long-Range Charge Transport in Linear Molecular Chains.
Lai-Liang, Francisco.

Long-Range Charge Transport in Linear Molecular Chains. - 1 online resource (39 pages)

Source: Masters Abstracts International, Volume: 84-01.

Thesis (M.Sc.)--University of Toronto (Canada), 2022.

Includes bibliographical references

Charge transport (CT) is the flow of charge through a medium, in this work we focus on electron CT. Due to the longer timescale of CT in longer chains, nuclear degrees of freedom must be included. In this work, we use the Landauer-B ̈uttiker probe (LBP) method to incorporate dephasing and energy exchange to the system electrons. We first present short systems of length < 1 nm to demonstrate the transition from tunneling to hopping transport mechanism. Next, we demonstrate non-trivial behaviours in high intersite tunneling energy systems. Following, we simulate longer systems up to 50 nm, showing the advantages of different transport mechanisms. We further simulate an alternating-rigidity system based on Geobacter Sulfurreducen by alternating the dephasing conditions. Finally, we apply the LBP method to study chiral-induced spin selectivity in proteins. While the results are preliminary, simulations show asymmetry of the transmission probability for different electron spin species.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2023

Mode of access: World Wide Web

ISBN: 9798835526512Subjects--Topical Terms:

1981412
Physical chemistry.
Subjects--Index Terms:

Charge transportIndex Terms--Genre/Form:

542853
Electronic books.

Long-Range Charge Transport in Linear Molecular Chains.
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500 $a Source: Masters Abstracts International, Volume: 84-01.
500 $a Advisor: Segal, Dvira.
502 $a Thesis (M.Sc.)--University of Toronto (Canada), 2022.
504 $a Includes bibliographical references
520 $a Charge transport (CT) is the flow of charge through a medium, in this work we focus on electron CT. Due to the longer timescale of CT in longer chains, nuclear degrees of freedom must be included. In this work, we use the Landauer-B ̈uttiker probe (LBP) method to incorporate dephasing and energy exchange to the system electrons. We first present short systems of length < 1 nm to demonstrate the transition from tunneling to hopping transport mechanism. Next, we demonstrate non-trivial behaviours in high intersite tunneling energy systems. Following, we simulate longer systems up to 50 nm, showing the advantages of different transport mechanisms. We further simulate an alternating-rigidity system based on Geobacter Sulfurreducen by alternating the dephasing conditions. Finally, we apply the LBP method to study chiral-induced spin selectivity in proteins. While the results are preliminary, simulations show asymmetry of the transmission probability for different electron spin species.
533 $a Electronic reproduction. $b Ann Arbor, Mich. : $c ProQuest, $d 2023
538 $a Mode of access: World Wide Web
650 4 $a Physical chemistry. $3 1981412
650 4 $a Chemistry. $3 516420
650 4 $a Electromagnetics. $3 3173223
650 4 $a Molecular chemistry. $3 1071612
653 $a Charge transport
653 $a Molecular electronics
653 $a Energy exchange
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