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.

Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ

2018 ◽  
Vol 20 (5) ◽  
pp. 3784-3794 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren
Keyword(s):  
Electron Transport ◽  
Charge Transport ◽  
Transport Properties ◽  
Single Crystals ◽  
Theoretical Study ◽  
Close Packing ◽  
Tunneling Effect ◽  
The Poor ◽  
Thermal Disorder ◽  
Nuclear Tunneling

The outstanding electron transport behavior of F2-TCNQ arises from its 3D close-packing motif and the nuclear tunneling effect; meanwhile, the poor transport properties of TCNQ and F4-TCNQ stem from their poor packing and strong thermal disorder.

Kinetic Monte Carlo Simulation of Impurity Effects on Nucleation and Growth of SiC Clusters on Si(100)

2013 ◽  
Vol 740-742 ◽  
pp. 393-396
Author(s):  
Maxim N. Lubov ◽  
Jörg Pezoldt ◽  
Yuri V. Trushin
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Cluster Size ◽  
Kinetic Monte Carlo ◽  
Nucleation And Growth ◽  
Nucleation Density ◽  
Nucleation Process ◽  
Impurity Effects ◽  
Kinetic Monte Carlo Simulations ◽  
The Mean

The influence of attractive and repulsive impurities on the nucleation process of the SiC clusters on Si(100) surface was investigated. Kinetic Monte Carlo simulations of the SiC clusters growth show that that increase of the impurity concentration (both attractive and repulsive) leads to decrease of the mean cluster size and rise of the nucleation density of the clusters.

Kinetic Monte Carlo simulation of deposition of energetic copper atoms on a Cu(001) substrate

2005 ◽  
Vol 38 (23) ◽  
pp. 4202-4209 ◽  
Author(s):  
Zu-li Liu ◽  
Li Yu ◽  
Kai-lun Yao ◽  
Xing-bin Jing ◽  
Xing-ao Li ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Kinetic Monte Carlo Simulation
Sign in / Sign up

Export Citation Format

Share Document