Chemisorption at interfaces between organic semiconductors and metals: role of the electron affinity

2005 ◽  
Vol 252 (1) ◽  
pp. 77-80 ◽  
Author(s):  
M. Knupfer ◽  
T. Schwieger
Keyword(s):  
Organic Semiconductors ◽  
Electron Affinity

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

Nanoconfining solution-processed organic semiconductors for emerging optoelectronics

2021 ◽  
Author(s):  
Yuze Zhang ◽  
Alina Chen ◽  
Min-Woo Kim ◽  
Aida Alaei ◽  
Stephanie S. Lee
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Organic Semiconductor ◽  
Light Emission ◽  
Solution Processed ◽  
Semiconductor Crystals

This tutorial review highlights the role of nanoconfinement in selecting for orientations and polymorphs of organic semiconductor crystals that are optimized for optoelectronic processes, including charge transport and light emission.

Theoretical Investigation of Structural Effects on the Charge Transfer Properties in Modified Phthalocyanines

MRS Advances ◽  
2015 ◽  
Vol 1 (7) ◽  
pp. 453-458 ◽  
Author(s):  
Patrick J. Dwyer ◽  
Stephen P. Kelty
Keyword(s):  
Organic Semiconductors ◽  
Electron Affinity ◽  
Density Functional ◽  
Reorganization Energy ◽  
High Electron ◽  
Optoelectronic Materials ◽  
Research Attention ◽  
Efficient Charge ◽  
Reorganization Energies ◽  
P Type

ABSTRACTFor efficient charge separation and charge transport in optoelectronic materials, small internal reorganization energies are desired. While many p-type organic semiconductors have been reported with low internal reorganization energies, few n-type materials with low reorganization energy are known. Metal phthalocyanines have long received extensive research attention in the field of organic device electronics due to their highly tunable electronic properties through modification of the molecular periphery. In this study, density functional theory (DFT) calculations are performed on a series of zinc-phthalocyanines (ZnPc) with various degrees of peripheral per-fluoroalkyl (-C3F7) modification. Introduction of the highly electron withdrawing groups on the periphery leads to a lowering in the energy of the molecular frontier orbitals as well as an increase in the electron affinity. Additionally, all molecules studies are found to be most stable in their anionic form, demonstrating their potential as n-type materials. However, the calculated internal reorganization energy slightly increases as a function of peripheral modification. By varying the degree of modification we develop a strategy for obtaining an optimal balance between low reorganization energy and high electron affinity for the development of novel n-type optoelectronic materials.

scholarly journals The role of heavy metal ions on spin transport in organic semiconductors

2015 ◽  
Vol 17 (1) ◽  
pp. 013004 ◽  
Author(s):  
B B Chen ◽  
S Wang ◽  
S W Jiang ◽  
Z G Yu ◽  
X G Wan ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Metal Ions ◽  
Organic Semiconductors ◽  
Heavy Metal Ions ◽  
Spin Transport

Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors

2016 ◽  
Vol 1 (1) ◽  
pp. 53-59 ◽  
Author(s):  
Yuqian Jiang ◽  
Xinxin Zhong ◽  
Wen Shi ◽  
Qian Peng ◽  
Hua Geng ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Significant Role ◽  
Transport Process ◽  
Quantum Tunnelling ◽  
Delocalization Effects

Our research investigated the significant role of nuclear tunnelling and carrier delocalization effects in the charge transport process of organic semiconductors.

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