scholarly journals Charge transfer quantification in a SnOx/CuPc semiconductor heterostructure: investigation of buried interface energy structure by photoelectron spectroscopies

2017 ◽  
Vol 19 (19) ◽  
pp. 11816-11824 ◽  
Author(s):  
Maciej Krzywiecki ◽  
Lucyna Grządziel ◽  
Adnan Sarfraz ◽  
Andreas Erbe
Keyword(s):  
Charge Transfer ◽  
Electronic Properties ◽  
Tin Oxide ◽  
Copper Phthalocyanine ◽  
Interface Energy ◽  
Energy Structure ◽  
Semiconductor Heterostructure

The interfacial electronic properties of the tin oxide/copper phthalocyanine layer stack were investigated with two complementary photoemission methods.

scholarly journals Defect Processes in Halogen Doped SnO2

2021 ◽  
Vol 11 (2) ◽  
pp. 551
Author(s):  
Petros-Panagis Filippatos ◽  
Nikolaos Kelaidis ◽  
Maria Vasilopoulou ◽  
Dimitris Davazoglou ◽  
Alexander Chroneos
Keyword(s):  
Electronic Properties ◽  
Tin Oxide ◽  
Density Functional ◽  
Structural Changes ◽  
High Dielectric Constant ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Optical And Electronic Properties ◽  
High Dielectric ◽  
Gap States

In the present study, we performed density functional theory calculations (DFT) to investigate structural changes and their impact on the electronic properties in halogen (F, Cl, Br, and I) doped tin oxide (SnO2). We performed calculations for atoms intercalated either at interstitial or substitutional positions and then calculated the electronic structure and the optical properties of the doped SnO2. In all cases, a reduction in the bandgap value was evident, while gap states were also formed. Furthermore, when we insert these dopants in interstitial and substitutional positions, they all constitute a single acceptor and donor, respectively. This can also be seen in the density of states through the formation of gap states just above the valence band or below the conduction band, respectively. These gap states may contribute to significant changes in the optical and electronic properties of SnO2, thus affecting the metal oxide’s suitability for photovoltaics and photocatalytic devices. In particular, we found that iodine (I) doping of SnO2 induces a high dielectric constant while also reducing the oxide’s bandgap, making it more efficient for light-harvesting applications.

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...

scholarly journals Electronic Properties and Orbital-Filling Mechanism in Rb-Intercalated Copper Phthalocyanine

2008 ◽  
Vol 112 (16) ◽  
pp. 6509-6514 ◽  
Author(s):  
F. Evangelista ◽  
R. Gotter ◽  
N. Mahne ◽  
S. Nannarone ◽  
A. Ruocco ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Copper Phthalocyanine ◽  
Filling Mechanism

Effects of Chemical Modification of Indium-Tin-Oxide with Benzene Derivates on the Performance of Organic Photovoltaic Cells of ITO/CuPc/C60/BCP/Al

2011 ◽  
Vol 1288 ◽  
Author(s):  
Khayankhyarvaa Sarangerel ◽  
Altantsetseg Delgerjargal ◽  
Byambasuren Delgertsetseg ◽  
Chimed Ganzorig
Keyword(s):  
Chemical Modification ◽  
Tin Oxide ◽  
Indium Tin Oxide ◽  
Copper Phthalocyanine ◽  
Low Cost ◽  
Photovoltaic Cells ◽  
Organic Photovoltaic ◽  
Organic Thin Film ◽  
Organic Pv ◽  
20 Nm

ABSTRACTOrganic thin film photovoltaic (PV) cells have attracted attention because of their ease of fabrication and potential for low cost production. In this paper, we study the effects of chemical modification of indium-tin-oxide (ITO) on the performance of organic PV cells. The organic PV cells are fabricated, with the cell configuration of ITO/copper phthalocyanine (CuPc) (20 nm)/fullerene (C60) (40 nm)/Al with and without bathocuproine (BCP) (10 nm) between C60 and Al. By the use of para-substituted benzenesulfonyl chlorides with different terminal groups of H- and Cl-, the energy offset at the ITO/CuPc interface is tuned widely depending upon the interface dipoles and thus the correlation between the change in the ITO work function and the performance of the PV cells by chemical modification is examined.

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.

In diffusion and electronic energy structure in polymer layers on In tin oxide

2011 ◽  
Vol 519 (13) ◽  
pp. 4216-4219 ◽  
Author(s):  
Polona Škraba ◽  
Gvido Bratina ◽  
Satoru Igarashi ◽  
Hirosi Nohira ◽  
Kazuyuki Hirose
Keyword(s):  
Tin Oxide ◽  
Electronic Energy ◽  
Energy Structure ◽  
Polymer Layers ◽  
Electronic Energy Structure

scholarly journals Lowest energy Frenkel and charge transfer exciton intermixing in one-dimensional copper phthalocyanine molecular lattice

2016 ◽  
Vol 109 (21) ◽  
pp. 213302 ◽  
Author(s):  
I. V. Bondarev ◽  
A. Popescu ◽  
R. A. Younts ◽  
B. Hoffman ◽  
T. McAfee ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Copper Phthalocyanine ◽  
One Dimensional
Sign in / Sign up

Export Citation Format

Share Document