Fine-Tuning LUMO Energy Levels of Conjugated Polymers Containing a B←N Unit

2017 ◽  
Vol 50 (21) ◽  
pp. 8521-8528 ◽  
Author(s):  
Xiaojing Long ◽  
Chuandong Dou ◽  
Jun Liu ◽  
Lixiang Wang
Keyword(s):  
Conjugated Polymers ◽  
Energy Levels ◽  
Fine Tuning ◽  
Lumo Energy

Fine-Tuning the Luminescence and HOMO–LUMO Energy Levels in Tetranuclear Gold(I) Fluorinated Amidinate Complexes

2012 ◽  
Vol 51 (4) ◽  
pp. 2010-2015 ◽  
Author(s):  
Hanan E. Abdou ◽  
Ahmed A. Mohamed ◽  
José M. López-de-Luzuriaga ◽  
Miguel Monge ◽  
John P. Fackler
Keyword(s):  
Energy Levels ◽  
Fine Tuning ◽  
Lumo Energy ◽  
Homo Lumo

N-acylation: an effective method for reducing the LUMO energy levels of conjugated polymers containing five-membered lactam units

2012 ◽  
Vol 48 (55) ◽  
pp. 6960 ◽  
Author(s):  
Ping Deng ◽  
Lu Liu ◽  
Shendong Ren ◽  
Hongxiang Li ◽  
Qing Zhang
Keyword(s):  
Conjugated Polymers ◽  
Energy Levels ◽  
Lumo Energy

ITIC Derivative Acceptors for Ternary Organic Solar Cells: Fine-Tuning of Absorption Bands, LUMO Energy Levels, and Cascade Charge Transfer

2021 ◽  
Author(s):  
Seungyun Baik ◽  
Dong Won Kim ◽  
Hyun−Sik Kang ◽  
Seung Hwa Hong ◽  
Sungjin Park ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Solar Cell ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
Energy Levels ◽  
Fine Tuning ◽  
Absorption Bands ◽  
Lumo Energy ◽  
Acceptor Molecules

For effective supplementary acceptor molecules (A2) in ternary organic solar cell (TOSC) devices, a series of ITIC derivatives was designed and synthesized by incorporating symmetrically or asymmetrically functional termini of...

Prolonging the lifetime of excited electrons of QDs by capping them with π-conjugated thiol ligands

2014 ◽  
Vol 2 (16) ◽  
pp. 2939-2943 ◽  
Author(s):  
Jie Chang ◽  
Hongbo Xia ◽  
Suli Wu ◽  
Shufen Zhang
Keyword(s):  
Energy Levels ◽  
Excited Electron ◽  
Band Edge ◽  
Lumo Energy ◽  
Stable Environment ◽  
Cdte Qds ◽  
Thiol Ligands ◽  
New Strategy

A new strategy is reported here to stabilize the excited electrons within QDs using-conjugated ligand. An electron delocalized field is formed by mixing the LUMO energy levels of π-conjugated ligand with conductive band-edge energy (Ecb) of CdTe QDs, which will supply the excited electron with a more stable environment.

scholarly journals Electronic Structure of Two New Bis-Schiff Base Ligands using DFT Method

2021 ◽  
pp. 10-15
Author(s):  
Elham Abdalrahem Bin Selim ◽  
Mohammed Hadi Al–Douh ◽  
Hassan Hadi Abdullah ◽  
Dahab Salim Al–Nohey
Keyword(s):  
Experimental Data ◽  
Biological Activity ◽  
Metal Ion ◽  
Energy Levels ◽  
Dft Method ◽  
Ftir Spectra ◽  
Schiff Base Ligands ◽  
Lumo Energy ◽  
Homo Lumo ◽  
Good Agreement

Two bis-Schiff Bases 1 and 2 are ligands that can coordinate with manganese metal to form stable complexes and have biological activity. Thermodynamic parameters, HOMO-LUMO energy levels and FTIR spectra of two ligands have been computed using B3LYP/6-311++G(d,p) functional of the DFT calculations. Both ligands are favored thermodynamically, and the ligand 1 has been shown to be more stable than ligand 2. The Polarizability values of two ligands have been investigated. The results refer that ligand 2 interacts earlier than ligand 1 to the metal ion. The FTIR spectra of two ligands have been evaluated. All results show the good agreement between the theoretical and experimental data.

scholarly journals Switching Off Hysteresis in Perovskite Solar Cells by Fine-Tuning Energy Levels of Extraction Layers

2018 ◽  
Vol 8 (21) ◽  
pp. 1703376 ◽  
Author(s):  
Antonio Guerrero ◽  
Agustín Bou ◽  
Gebhard Matt ◽  
Osbel Almora ◽  
Thomas Heumüller ◽  
...  
Keyword(s):  
Solar Cells ◽  
Energy Levels ◽  
Perovskite Solar Cells ◽  
Fine Tuning

Dispiroacridine-indacenobisthiophenes positional isomers: Impact of the bridge on the physicochemical properties

2021 ◽  
Author(s):  
Jean-David Peltier ◽  
Benoît Heinrich ◽  
Bertrand Donnio ◽  
Olzhas A. Ibraikulov ◽  
Thomas Heiser ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Physicochemical Properties ◽  
Physical Properties ◽  
Charge Transport ◽  
Energy Levels ◽  
Molecular Organization ◽  
Positional Isomers ◽  
Lumo Energy ◽  
Positional Isomerism ◽  
Homo Lumo

We report the influence of positional isomerism on the electronic (electrochemical HOMO/LUMO energy levels), photophysical and physical properties (molecular organization, crys¬¬tallinity and phase transitions) and charge transport properties of dispiroacridine-in¬da¬ce¬no¬bis¬thio¬phene...

Insights into the correlation between the molecular conformational change and AIE activity of 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles

2016 ◽  
Vol 4 (32) ◽  
pp. 7541-7545 ◽  
Author(s):  
Bin Chen ◽  
Han Nie ◽  
Rongrong Hu ◽  
Anjun Qin ◽  
Zujin Zhao ◽  
...  
Keyword(s):  
Conformational Change ◽  
Energy Levels ◽  
Lumo Energy

Three novel AIEgens with low-lying LUMO energy levels are developed from p–π conjugated 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles.

Synergy strategy to the flexible alkyl and chloride side-chain engineered quinoxaline-based D–A conjugated polymers for efficient non-fullerene polymer solar cells

2021 ◽  
Author(s):  
Liang Zeng ◽  
Ruijie Ma ◽  
Qiang Zhang ◽  
Tao Liu ◽  
Yiqun Xiao ◽  
...  
Keyword(s):  
Solar Cells ◽  
Conjugated Polymers ◽  
Halogen Atom ◽  
Polymer Solar Cells ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains

We are developing both copolymers with quinoxaline (Qx) as acceptor units by fine tuning the side chains with halogen atom chlorine (Cl) and flexible alkyl engineering for efficient non-fullerene polymer solar cells.

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