Tuning of the degree of charge transfer and the electronic properties in organic binary compounds by crystal engineering: a perspective

2018 ◽  
Vol 6 (8) ◽  
pp. 1884-1902 ◽  
Author(s):  
Hui Jiang ◽  
Peng Hu ◽  
Jun Ye ◽  
Keke K. Zhang ◽  
Yi Long ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Crystal Engineering ◽  
Binary Compounds ◽  
Degree Of Charge Transfer

7,7,8,8-Tetracyanoquinodimethane (TCNQ) and FxTCNQ (x = 1, 2, 4) as acceptors and aromatic hydrocarbons form a variety of compounds in which the degree of charge transfer is tuned by crystal engineering.

Growth direction dependent separate-channel charge transport in organic weak charge-transfer co-crystal of anthracene-DTTCNQ

2022 ◽  
Author(s):  
Hui Jiang ◽  
Jun Ye ◽  
Peng Hu ◽  
Shengli Zhu ◽  
Yanqin Liang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Electronic Properties ◽  
Single Crystals ◽  
Organic Semiconductors ◽  
Crystal Engineering ◽  
Molecular Crystal ◽  
Growth Direction ◽  
Weak Charge ◽  
Separate Channel

Co-crystallization is an efficient way of molecular crystal engineering to tune the electronic properties of organic semiconductors. In this work, we synthesized anthracene-4,8-bis(dicyanomethylene)4,8-dihydrobenzo[1,2-b:4,5-b’]-dithiophene (DTTCNQ) single crystals as a template to...

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

Charge transfer energies of the complexes of (dibenzoylmethanato)boron difluoride with indeno-pyridines and polynuclear aromatic hydrocarbons

2013 ◽  
Vol 108 ◽  
pp. 181-185 ◽  
Author(s):  
Tandrima Chaudhuri ◽  
Sneha Salampuria ◽  
Pradip Kumar Tapaswi ◽  
Chhanda Mukhopadhyay ◽  
Subrata Chattopadhyay ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Aromatic Hydrocarbons ◽  
Polynuclear Aromatic Hydrocarbons ◽  
Boron Difluoride

scholarly journals Rich p -type-doping phenomena in boron-substituted silicene systems

2020 ◽  
Vol 7 (12) ◽  
pp. 200723
Author(s):  
Hai Duong Pham ◽  
Wu-Pei Su ◽  
Thi Dieu Hien Nguyen ◽  
Ngoc Thanh Thuy Tran ◽  
Ming-Fa Lin
Keyword(s):  
Charge Transfer ◽  
Fermi Level ◽  
Charge Density ◽  
Electronic Properties ◽  
First Principles ◽  
Chemical Environment ◽  
First Principles Calculations ◽  
Density Distributions ◽  
Essential Properties ◽  
P Type

The essential properties of monolayer silicene greatly enriched by boron substitutions are thoroughly explored through first-principles calculations. Delicate analyses are conducted on the highly non-uniform Moire superlattices, atom-dominated band structures, charge density distributions and atom- and orbital-decomposed van Hove singularities. The hybridized 2 p z –3 p z and [2s, 2 p x , 2 p y ]–[3s, 3 p x , 3 p y ] bondings, with orthogonal relations, are obtained from the developed theoretical framework. The red-shifted Fermi level and the modified Dirac cones/ π bands/ σ bands are clearly identified under various concentrations and configurations of boron-guest atoms. Our results demonstrate that the charge transfer leads to the non-uniform chemical environment that creates diverse electronic properties.

Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives

CrystEngComm ◽  
2015 ◽  
Vol 17 (32) ◽  
pp. 6227-6235 ◽  
Author(s):  
Amparo Salmerón-Valverde ◽  
Sylvain Bernès
Keyword(s):  
Charge Transfer ◽  
Crystal Growth ◽  
Charge Transfer Complexes ◽  
Organic Complexes ◽  
Donor Acceptor ◽  
Degree Of Charge Transfer

A series of solvated donor–acceptor organic complexes were shown to slowly release the lattice solvent while the degree of charge transfer decreases steadily. This behavior is not observed in the case of a hydrate.

Model-independent determination of the degree of charge transfer in molecular and metal complexes

2015 ◽  
Vol 51 (81) ◽  
pp. 15071-15074 ◽  
Author(s):  
Bora Joo ◽  
Eung-Gun Kim
Keyword(s):  
Charge Transfer ◽  
Metal Complexes ◽  
Active Space ◽  
Model Free ◽  
Independent Determination ◽  
Charge Analysis ◽  
Model Independent ◽  
Degree Of Charge Transfer

Choosing a small active space of electrons for charge analysis allows the model-free determination of the degree of charge transfer.

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