Ambipolar charge-transport properties in 4,10-dihalogenated anthanthrone crystals: a theoretical study

2015 ◽  
Vol 3 (9) ◽  
pp. 1913-1921 ◽  
Author(s):  
Zeyi Tu ◽  
Xuri Huang ◽  
Yuanping Yi
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study

Good ambipolar charge-transport characteristics have been revealed for the halogenated anthanthrone crystals by DFT and MD calculations.

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.

Theoretical study of synergetic effect between halogenation and pyrazine substitutions on transport properties of silylethynylated pentacene

2019 ◽  
Vol 43 (8) ◽  
pp. 3583-3600 ◽  
Author(s):  
Jian-Xun Fan ◽  
Li-Fei Ji ◽  
Ning-Xi Zhang ◽  
Pan-Pan Lin ◽  
Gui-Ya Qin ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Charge Transport ◽  
Transport Properties ◽  
Quantum Tunneling ◽  
Theoretical Study ◽  
Kinetic Monte Carlo ◽  
Synergetic Effect ◽  
Tunneling Effect ◽  
Disorder Effects

Combining quantum-tunneling-effect-enabled hopping theory with kinetic Monte Carlo simulation and dynamic disorder effects, the charge transport properties of a series of N-hetero 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-PEN) derivatives with halogen substitutions were studied.

What could be the Highest Hopping Mobility in Organic Thin-Film Transistors?

MRS Advances ◽  
2016 ◽  
Vol 1 (38) ◽  
pp. 2659-2664
Author(s):  
Varsha Rani ◽  
Akanksha Sharma ◽  
Subhasis Ghosh
Keyword(s):  
Thin Film ◽  
Charge Transport ◽  
Transport Properties ◽  
Thin Film Transistors ◽  
Weak Coupling ◽  
Theoretical Study ◽  
Schottky Diodes ◽  
Organic Thin Film Transistors ◽  
Electronic Coupling ◽  
Organic Thin Film

ABSTRACTCharge transport properties of pentacene have been investigated by a joint experimental and theoretical study. The growth of pentacene on the substrates shows mainly two different polymorphic phases, a bulk phase and a thin-film phase. The thin-film phase is crucial for the charge transport in two-terminal and three-terminal devices such as organic Schottky diodes and organic thin film transistors, respectively. Experimentally, mobility in two-terminal devices is less by five orders of magnitude than that in three-terminal devices. We show here that this difference can be explained on the basis of strong electronic coupling between molecular dimers located in the ab-plane and relatively weak coupling between the planes (along the c-axis).

A theoretical study on the charge transport properties of DNA

2017 ◽  
Vol 42 ◽  
pp. 244-255 ◽  
Author(s):  
Jingyu Qian ◽  
Leijing Liu ◽  
Bin Xu ◽  
Wenjing Tian
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study

Charge transport properties in organic D-A mixed-stack complexes based on corannulene and sumanene derivatives-a theoretical study

2019 ◽  
Vol 68 ◽  
pp. 35-44 ◽  
Author(s):  
Xi Chen ◽  
Huan Wang ◽  
Baohui Wang ◽  
Yuanyuan Wang ◽  
Xingyi Jin ◽  
...  
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Theoretical Study
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