Results 171 to 180 of about 27,503 (307)

Molecular Docking, HOMO-LUMO, Quantum Chemical Computation and Bioactivity Analysis of vic-Dioxim Derivatives Bearing Hydrazone Group Ligand and Their NiII and CuII Complexes

, 2022
Şerife Gökçe Çalışkan, Onur Genç, Fatma Erol, Nursabah Sarıkavaklı   +3 more
openalex   +2 more sources

Experimental Evidence of Free Carrier Generation in 2D Hybrid Organic–Inorganic Perovskites

Advanced Optical Materials, EarlyView.
ABSTRACT Despite the significant potential of 2D hybrid organic–inorganic perovskites (2DHOIPs) for high‐efficiency optoelectronics application‐comparable to their 3D counterparts, the fundamental carrier photogeneration remains unclear. In contrast to conventional ultrafast optical property characterization, we use ultrafast photocurrent spectroscopy ...
Tuhin Ghosh, Pan Adhikari, Yao Gao, Apparao M. Rao, Dawen Li, Haimei Zheng, Ying Shi, Letian Dou, Jianbo Gao   +8 more
wiley   +1 more source

Exploring the Impact of the HOMO-LUMO Gap on Molecular Thermoelectric Properties: A Comparative Study of Conjugated Aromatic, Quinoidal, and Donor-Acceptor Core Systems. [PDF]

ACS Omega
Blankevoort N, Bastante P, Davidson RJ, Salthouse RJ, Daaoub AHS, Cea P, Solans SM, Batsanov AS, Sangtarash S, Bryce MR, Agrait N, Sadeghi H.   +11 more
europepmc   +1 more source

Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. [PDF]

J Comput Chem, 2018
Narsaria AK, Poater J, Fonseca Guerra C, Ehlers AW, Lammertsma K, Bickelhaupt FM.   +5 more
europepmc   +1 more source

Unraveling Mechanism of Photoluminescence in Hybrid Indium Halide Materials

Advanced Optical Materials, EarlyView.
Halide substitution in isolated [InHal6]3− octahedra reveals how bromide incorporation governs photoluminescence properties in hybrid indium halides. Ligand‐to‐metal charge transfer excitation followed by recombination produces a red‐shift and steadily increasing photoluminescence efficiency with increasing Br content.
Aleksandra D. Valueva, Emily M. Chopra, Vladislav V. Klepov   +2 more
wiley   +1 more source

High‐Performance Ternary Organic Solar Cells via Isomeric Engineering of Nonfullerene Guest Acceptors

Advanced Science, EarlyView.
Two isomeric nonfullerene acceptors, BTP‐γ‐Br and BTP‐δ‐Br, were designed to investigate their effects on the optoelectronic properties and photovoltaic performance of ternary blends. Incorporating BTP‐γ‐Br into the D18:N3 binary system can enhance film crystallinity and suppress charge recombination, achieving a high PCE of 19.2% and a certified JSC ...
Zhenzhong Pan, Renjie Xu, Yuanyuan Jiang, Guangliu Ran, Kerui Liu, Wenkai Zhang, Meisu Zhou, Liheng Feng, Xiaozhang Zhu   +8 more
wiley   +1 more source

Ufmylation‐Deficient DDRGK1 Ameliorates Obesity by Inhibiting FASN‐Mediated Adipocyte Lipogenesis

Advanced Science, EarlyView.
DDRGK1 regulates de novo lipogenesis via stabilization of fatty acid synthase (FASN). DDRGK1‐mediated UFMylation of FASN prevents its ubiquitin–proteasomal degradation. Reduced DDRGK1 expression or mutation at the key UFMylation site enhances FASN degradation and suppresses fatty acid synthesis (FAS), resulting in smaller adipocytes and improved ...
Yin Li, Tangjun Zhou, Xiao Yang, Kewei Rong, Xiankun Cao, Lei Shi, Xin Wang, Hongjin Wan, Lei Cui, Kexin Liu, Tong Xing, Hang Zhang, Chen Zhao, Tingxian Guo, Peixiang Ma, Jie Zhao, An Qin   +16 more
wiley   +1 more source

Theoretical study on the molecular structure and vibrational properties, NBO and HOMO–LUMO analysis of the POX3 (X = F, Cl, Br, I) series of molecules

, 2014
J.E. Galván, Diego M. Gil, Hernán Enrique Lanús, A. Ben Altabef   +3 more
openalex   +2 more sources

Alkylthienyl Side Groups in Conjugated Polymers Enable Localization of π Electron Density and Facilitate Efficient Hole Transfer

Advanced Science, EarlyView.
Resonance Raman spectroscopy is used in combination with other spectroscopic and morphology characterization techniques to unveil the mechanistic origin of the shift in synthetic strategy to alkylthienyl peripheral groups for high‐performing organic photovoltaics.
Hristo Ivov Gonev, Daniel G. Congrave, Junjun Guo, Jose Marin‐Beloqui, Max Allen, David Bacon, Ankita Kumari, Mohammad Saeed Shadabroo, He Zhu, Dibyajyoti Ghosh, Rachel C. Kilbride, Safa Shoaee, Hugo Bronstein, Tracey M. Clarke   +13 more
wiley   +1 more source

Stabilization of Single Metal Atoms on Graphitic Carbon Nitride: Synthetic Strategies and Emerging Applications

Advanced Science, EarlyView.
This review highlights recent advancements in stabilizing single metal atoms on graphitic carbon nitride emphasizing innovative synthesis strategies and emerging applications in electrocatalysis, photocatalysis and organic transformations, along with key challenges and future perspective. Abstract Emerging as a new frontier in catalysis science, single‐
Wenyao Zhang, Junjie Cui, Zhenjie Yao, Boyuan Zhu, Nithinraj Panangattu Dharmarajan, Ajayan Vinu, Junwu Zhu   +6 more
wiley   +1 more source