scholarly journals Tunable charge transfer properties in metal-phthalocyanine heterojunctions

Nanoscale ◽  
2016 ◽  
Vol 8 (16) ◽  
pp. 8607-8617 ◽  
Author(s):  
P. F. Siles ◽  
T. Hahn ◽  
G. Salvan ◽  
M. Knupfer ◽  
F. Zhu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transport Properties ◽  
Carrier Mobility ◽  
Spatial Mapping ◽  
Transport Mechanisms ◽  
Metal Phthalocyanine ◽  
Conductive Afm ◽  
Transfer Properties

The transport properties of phthalocyanine heterojunctions are precisely tuned via engineering of the organic heterostructure. Conductive AFM techniques allow identifying transport mechanisms and performing nanoscale spatial mapping of carrier mobility.

scholarly journals Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2′-biphenyl)borinic 8-oxyquinolinate

2014 ◽  
Vol 16 (41) ◽  
pp. 22762-22774 ◽  
Author(s):  
Grzegorz Wesela-Bauman ◽  
Sergiusz Luliński ◽  
Janusz Serwatowski ◽  
Krzysztof Woźniak
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
System P ◽  
Transfer Properties

First example of polymorphism and its impact on the charge transport properties of a model borinic quinolinate system.

THEORETICAL INVESTIGATIONS OF THE CHARGE TRANSFER PROPERTIES IN OLIGOTHIOPHENE DERIVATIVES

2012 ◽  
Vol 11 (03) ◽  
pp. 631-640 ◽  
Author(s):  
AHMAD IRFAN ◽  
ABDULLAH G. AL-SEHEMI ◽  
ABDULLAH M. ASIRI
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Chain Length ◽  
Energy Gap ◽  
Reorganization Energy ◽  
Theoretical Investigations ◽  
Reorganization Energies ◽  
Transfer Properties

The structures of 5,5′-bis(naphth-2-yl)- 2,2′-bithiophene (NaT2), 5,5″-bis(naphth-2-yl)-2,2′:5′,2′-terthiophene (NaT3), 5,5‴-bis(naphth-2-yl)-2,2′:5′,2″:5″,2‴-tetrathiophene (NaT4), 5,5″″-bis(naphth-2-yl)-2,2′:5′,2″:5″,2‴:5‴,2″″-quinquethiophene (NaT5) and 5,5′″″-bis(naphth-2-yl)-2,2′:5′,2″:5″,2‴:5‴,2″″:5″″,2′″″-sexithiophene (NaT6) have been optimized at PBE1PBE/6-31G* level of theory. By increasing the chain length (thiophene units) energy gap decreases. The hole reorganization energy also decreases from NaT2–NaT6 . We have observed that mobility of NaT5 and NaT6 can be enhanced by minimizing the polarization and relaxation. The end-capped naphthyl groups have been rotated from 0°–60° in the case study of NaT2 , it was found that hole reorganization energy increases with the increment in angle. Furthermore the charge transport properties of 5,5′-bis(thionaphth-2-yl)-2,2′-bithiophene (TNT2), 5,5″-bis(thionaphth-2-yl)-2,2′:5′,2″-terthiophene (TNT3), and 5,5‴-bis(thionaphth-2-yl)-2,2′:5′,2″:5″,2‴-quaterthiophene (TNT4) have been investigated at the same level of theory. It has been studied that cis isomers have higher hole reorganization energies as compared to trans ones thus these isomers would diminish the mobility.

Theoretical investigations into the charge transfer properties of thiophene α-substituted naphthodithiophene diimides: excellent n-channel and ambipolar organic semiconductors

2017 ◽  
Vol 19 (21) ◽  
pp. 13978-13993 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Theoretical Investigations ◽  
Transfer Properties

The effects of substituents at the thiophene α-position of NDTI on the electronic structures, stability, molecular packing and the charge transport properties were investigated using quantum chemical methods.

Transport Phenomena and Properties in Treelike Networks

2016 ◽  
Vol 68 (4) ◽  
Author(s):  
Peng Xu ◽  
Agus Pulung Sasmito ◽  
Boming Yu ◽  
Arun Sadashiv Mujumdar
Keyword(s):  
Transport Properties ◽  
Scaling Laws ◽  
Transport Phenomena ◽  
Transport Processes ◽  
Research Progress ◽  
Transport Systems ◽  
Transport Mechanisms ◽  
Branching Structures ◽  
Flow And Heat Transfer ◽  
Flow Heat

Treelike structures abound in natural as well as man-made transport systems, which have fascinated multidisciplinary researchers to study the transport phenomena and properties and understand the transport mechanisms of treelike structures for decades. The fluid flow and heat transfer in treelike networks have received an increasing attention over the past decade as the highly efficient transport processes observed in natural treelike structures can provide useful hints for optimal solutions to many engineering and industrial problems. This review paper attempts to present the background and research progress made in recent years on the transport phenomenon in treelike networks as well as technological applications of treelike structures. The subtopics included are optimization of branching structures, scaling laws of treelike networks, and transport properties for laminar flow, turbulent flow, heat conduction, and heat convection in treelike networks. Analytical expressions for the effective transport properties have been derived based on deterministic treelike networks, and the effect of branching parameters on the transport properties of treelike networks has also been discussed. Furthermore, numerical simulation results for treelike microchannel networks are presented as well. The proposed transport properties may be beneficial to understand the transport mechanisms of branching structures and promote the applications of treelike networks in engineering and industry.

Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge

2021 ◽  
Author(s):  
Qing-Dou Xu ◽  
Chen Zeng ◽  
Shao-Dong Su ◽  
Yu-Ying Yang ◽  
Sheng-Min Hu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Auxiliary Ligand ◽  
Metal Charge ◽  
Transfer Properties ◽  
Metal Charge Transfer

This work shows that the energy of MMCT in cyanidometal-bridged complexes can be tuned systematically by changing the auxiliary ligand of the cyanidometal bridge.

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