scholarly journals Deuteration Effects on the Transport Properties of (TMTTF)2X Salts

Crystals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1085
Author(s):  
Andrea Rohwer ◽  
Martin Dressel ◽  
Toshikazu Nakamura
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Electronic Properties ◽  
Energy Gap ◽  
Strong Dependence ◽  
Variable Range Hopping ◽  
Temperature Dependent ◽  
One Dimensional ◽  
Charge Localization ◽  
End Groups

The electronic properties in the quasi-one-dimensional Fabre salts are strongly affected by electronic correlations along the molecular stacks, but also by the interactions with the anions located in a cage that is formed by the methyl end groups. We systematically compare the charge transport in deuterated and protonated (TMTTF)2X salts with the anions X = Br, PF6, SbF6, and ClO4, ranging from Mott and Efros–Shklovskii variable-range hopping to activated band transport with a temperature dependent energy gap. The strong dependence of charge localization and ordering on the anion size and deuteration confirms the subtle structural involvement of the anions in the charge transport along the TMTTF stack.

scholarly journals Charge localization and hopping in a topologically engineered graphene nanoribbon

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Marcelo Lopes Pereira Júnior ◽  
Pedro Henrique de Oliveira Neto ◽  
Demétrio Antônio da Silva Filho ◽  
Leonardo Evaristo de Sousa ◽  
Geraldo Magela e Silva ◽  
...  
Keyword(s):  
Charge Transport ◽  
Electronic Properties ◽  
Graphene Nanoribbons ◽  
Charge Injection ◽  
Graphene Nanoribbon ◽  
Extended Version ◽  
One Dimensional ◽  
Charge Localization

AbstractGraphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system’s topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material.

A theoretical study on a series of polycyclic conjugated hydrocarbons—dinaphthobenzo[1,2:4,5]dicyclobutadienes with tunable charge transport properties by controlling [N]phenylenes and (anti)aromaticity

2019 ◽  
Vol 7 (22) ◽  
pp. 6721-6727
Author(s):  
Hang Yin ◽  
Daoyuan Zheng ◽  
Yan Qiao ◽  
Xiaofang Chen
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study ◽  
Energy Gap ◽  
Conjugated Hydrocarbons ◽  
Polycyclic Conjugated Hydrocarbons

A multi-dimensional relationship founded on the targeted [N] number, the energy gap (Eg) and the aromatic degree was constructed for predicting cyclobutadienoid-containing dinaphthobenzo[1,2:4,5]dicyclobutadienes (DNBDCs) with better charge transport properties.

Temperature-Dependent Charge Transport of Large-Area Molecular Junctions with PEDOT:PSS Electrodes

2020 ◽  
Vol 12 (3) ◽  
pp. 333-336
Author(s):  
Jungmoon Lim ◽  
Gahyun Ahn ◽  
Inho Jeong ◽  
Hyunwook Song
Keyword(s):  
Charge Transport ◽  
Annealing Temperature ◽  
Molecular Junctions ◽  
Electrical Characteristics ◽  
Large Area ◽  
Temperature Dependent ◽  
Interfacial Contact ◽  
End Groups ◽  
Backbone Structure ◽  
Dependent Transport

We report on the temperature-dependent transport behaviors of large-area molecular junctions fabricated with poly-(3,4-ethylene-dioxythiophene) stabilized with polystyrene sulphonic acid (PEDOT:PSS) interlayer electrodes and the archetypal benzenethiol molecules. In this study, we investigated two different benzenethiol molecules: 4-methylbenzenethiol (MBT) and 1,4-benzenedithiol (BDT), which have the identical backbone structure but different top end-groups. The charge transport through the molecular junctions was dominated by distinct interfacial contact properties between the PEDOT:PSS electrodes and the component molecules. We also observed that the electrical characteristics of the MBT junctions are influenced by the PEDOT grain size, particularly depending on the annealing temperature.

Charge transport in pyroprotein-based electronic yarns

2020 ◽  
Vol 22 (46) ◽  
pp. 26910-26916
Author(s):  
Jun Woo Jeon ◽  
Hyun-Seok Jang ◽  
Won Taek Jung ◽  
Byung Hoon Kim
Keyword(s):  
Heat Treatment ◽  
Charge Transport ◽  
Transport Properties ◽  
Temperature Dependent ◽  
First Time

Temperature-dependent charge transport properties of pyroprotein-based electronic yarns fabricated from pyrolysis of commercial silk with different heat treatment temperatures were analyzed for the first time.

Electronic structure and charge transport properties of atomic carbon wires

2017 ◽  
Vol 19 (39) ◽  
pp. 26890-26897 ◽  
Author(s):  
K. Lambropoulos ◽  
C. Simserides
Keyword(s):  
Electronic Structure ◽  
Charge Transport ◽  
Transport Properties ◽  
Dimensional Structure ◽  
Atomic Carbon ◽  
One Dimensional

Atomic carbon wires represent the ultimate one-atom-thick one-dimensional structure.

scholarly journals A Computational Study of Optoelectronic and Charge Transport Properties of Purine Nucleobases Dinucleotides Compounds

2021 ◽  
Author(s):  
Kimberly Madison ◽  
Wojciech Kolodziejczyk ◽  
Karina Kapusta ◽  
Glake Hill
Keyword(s):  
Density Functional Theory ◽  
Charge Transport ◽  
Transport Properties ◽  
Gas Phase ◽  
Density Functional ◽  
Energy Gap ◽  
Computational Study ◽  
Blue Shift ◽  
Functional Theory ◽  
Vertical Excitation

Abstract Optoelectronic and charge transport properties of eight novel compounds are presented in this work. Density functional theory B3LYP was utilized to optimize all structures while time-dependent density functional theory was utilized for vertical excitation characteristics. Gas and solvent phases (water, THF, and DCM) were evaluated to gain insight on solid-state and solution processed devices. While the solvent phases enhanced most of the charge transport properties, there was seen a blue-shift in their absorption wavelengths. However, C2, C4, C6, and C8 in THF absorption maxima were the highest and similar to those of the gas phase (605-652 nm). Extension of the polymer size decreased the HOMO-LUMO gap energy with C7 having the lowest energy gap in the gas phase. Although tuning the properties in optoelectronic devices is challenging, these findings will assist with the design of higher quality materials that could surpass the quality of inorganic devices.

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