Interaction of Charge Carriers with Lattice Vibrations in Organic Molecular Semiconductors: Naphthalene as a Case Study

2009 ◽  
Vol 113 (11) ◽  
pp. 4679-4686 ◽  
Author(s):  
Veaceslav Coropceanu ◽  
Roel S. Sánchez-Carrera ◽  
Pavel Paramonov ◽  
Graeme M. Day ◽  
Jean-Luc Brédas
Keyword(s):  
Charge Carriers ◽  
Lattice Vibrations ◽  
Molecular Semiconductors

Kinetics of thermalization of electric charge carriers in organic molecular semiconductors in strong electric fields

2008 ◽  
Vol 50 (7) ◽  
pp. 1374-1380 ◽  
Author(s):  
N. P. Kulish ◽  
Yu. M. Barabash ◽  
M. A. Zabolotny ◽  
D. A. Grin’ko ◽  
O. P. Dmitrenko ◽  
...  
Keyword(s):  
Electric Fields ◽  
Electric Charge ◽  
Charge Carriers ◽  
Strong Electric Fields ◽  
Molecular Semiconductors ◽  
Kinetics Of

scholarly journals Photon assisted-inversion of majority charge carriers in molecular semiconductors-based organic heterojunctions

2021 ◽  
Author(s):  
Gracia Loma-kikobo ◽  
Abhishek Kumar ◽  
Vaibhav Vibhu ◽  
Seydou Ouedraogo ◽  
Alix Deshotel ◽  
...  
Keyword(s):  
Building Block ◽  
Low Cost ◽  
Charge Carriers ◽  
Next Generation ◽  
Molecular Materials ◽  
Highly Efficient ◽  
Molecular Semiconductors ◽  
Organic Heterojunctions

Ambipolar molecular materials hold great promises as a building block of next generation highly efficient, less complex and low cost electronics devices. In this endeavor, the present work reports the...

scholarly journals Influence of non-covalent interactions in dictating the polarity and mobility of charge carriers in a series of crystalline NDIs: a computational case study

RSC Advances ◽  
2021 ◽  
Vol 11 (53) ◽  
pp. 33703-33713
Author(s):  
Kalyan Jyoti Kalita ◽  
Indrajit Giri ◽  
Ratheesh K. Vijayaraghavan
Keyword(s):  
Transport Properties ◽  
Carrier Transport ◽  
Charge Carriers ◽  
Bulk Carrier ◽  
Naphthalene Diimide ◽  
Mobility Of Charge Carriers ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Carrier Transport Properties

Bulk carrier transport properties of a group of selected N-substituted naphthalene diimide derivatives are investigated.

scholarly journals Some Effective Tight-Binding Models for Electrons in DNA Conduction: A Review

2010 ◽  
Vol 2010 ◽  
pp. 1-28 ◽  
Author(s):  
Hiroaki Yamada ◽  
Kazumoto Iguchi
Keyword(s):  
Dna Sequences ◽  
Tight Binding ◽  
Electronic States ◽  
Charge Carriers ◽  
Chromosome 22 ◽  
Lattice Vibrations ◽  
Correlation Effects ◽  
Localization Property ◽  
Range Correlation ◽  
Transfer Properties

Quantum transport for DNA conduction has been widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works concerning the electronic states and the conduction/transfer in DNA polymers. We have mainly investigated the energy-band structure and the correlation effects of localization property in the two- and three-chain systems (ladder model) with long-range correlation as a simple model for electronic property in a double strand of DNA by using the tight-bindingmodel. In addition, we investigated the localization properties of electronic states in several actual DNA sequences such as bacteriophages of Escherichia coli, human-chromosome 22, compared with those of the artificial disordered sequences with correlation. The charge-transfer properties for poly(dA)-poly(dT) and poly(dG)-poly(dC) DNA polymers are also presented in terms of localization lengths within the frameworks of the polaron models due to the coupling between the charge carriers and the lattice vibrations of the double strand of DNA.

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

2020 ◽  
Author(s):  
Gloria Capano ◽  
Francesco Ambrosio ◽  
Stavroula Kampouri ◽  
Kyriakos Stylianou ◽  
Alfredo Pasquarello ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Electronic Structure Calculations ◽  
Charge Carriers ◽  
Order Of Magnitude ◽  
Novel Material ◽  
Active Nanoparticles ◽  
Metal Organic ◽  
Structure Calculations ◽  
Catalytic Performances

<div>The photoactive MIL-125 and MIL-125-NH$_{2}$ Metal-Organic Frameworks (MOFs), despite a very similar crystalline structure, exhibit different optically behaviour. Luminescence in MIL-125 decays in about 1 ns while for its amino counterpart the lifetime of the charge-carriers is at least one order of magnitude larger. The origin of this difference is the key element for understanding the photocatalytic behaviour of MIL-125-NH<sub>2</sub> when associated with active nanoparticles, behaviour that is completely absent in MIL-125. By performing advanced</div><div>ab-initio electronic structure calculations, we find that charge-carriers interact differently in the two MOFs with subsequent effects on the luminescence lifetimes and their catalytic performances. To confirm the predictions of our model we synthesized a novel material in the MIL-125 family, MIL-125-NH<sub>2</sub>-[10%](OH)<sub>2</sub>, and confirm that our theory correctly predicts a faster decay compared to MIL-125-NH<sub>2</sub>.</div>

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

2020 ◽  
Author(s):  
Gloria Capano ◽  
Francesco Ambrosio ◽  
Stavroula Kampouri ◽  
Kyriakos Stylianou ◽  
Alfredo Pasquarello ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Electronic Structure Calculations ◽  
Charge Carriers ◽  
Order Of Magnitude ◽  
Novel Material ◽  
Active Nanoparticles ◽  
Metal Organic ◽  
Structure Calculations ◽  
Catalytic Performances

<div>The photoactive MIL-125 and MIL-125-NH$_{2}$ Metal-Organic Frameworks (MOFs), despite a very similar crystalline structure, exhibit different optically behaviour. Luminescence in MIL-125 decays in about 1 ns while for its amino counterpart the lifetime of the charge-carriers is at least one order of magnitude larger. The origin of this difference is the key element for understanding the photocatalytic behaviour of MIL-125-NH<sub>2</sub> when associated with active nanoparticles, behaviour that is completely absent in MIL-125. By performing advanced</div><div>ab-initio electronic structure calculations, we find that charge-carriers interact differently in the two MOFs with subsequent effects on the luminescence lifetimes and their catalytic performances. To confirm the predictions of our model we synthesized a novel material in the MIL-125 family, MIL-125-NH<sub>2</sub>-[10%](OH)<sub>2</sub>, and confirm that our theory correctly predicts a faster decay compared to MIL-125-NH<sub>2</sub>.</div>

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