Results 141 to 150 of about 66,179 (347)

LUMOS [PDF]

Chemical & Engineering News Archive, 2012
openaire   +1 more source

An Atomic‐Level Bimetallic MOF Platform Overcoming the Stability‐Performance Tradeoff for Laser Propulsion

Advanced Materials, EarlyView.
This work introduces an atomic‐level engineered bimetallic MOF Platform that resolves the inherent trade‐off between environmental stability and propulsion efficiency. By integrating robust Fe‐O bonds for hydrolysis resistance and enabling d‐orbital charge transfer (Fe3+→Cu2+) for enhanced photothermal conversion, the design achieves a highly durable ...
Senlin Rao, Gang Tang, Shizhuo Zhang, Gary J. Cheng   +3 more
wiley   +1 more source

Core‐Substituted Naphthalenediimides: LUMO Levels Revisited, in Comparison with Preylenediimides with Sulfur Redox Switches in the Core [PDF]

, 2016
François N. Miros, Stefan Matile
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Vacuum‐Evaporated, Lead‐Free RbYbI3 Perovskite Interlayers for Universal Electron Injection in High‐Performance Organic Light‐Emitting Diodes

Advanced Materials, EarlyView.
ABSTRACT The optoelectronic performance of organic light‐emitting diodes (OLEDs) is critically governed by charge injection from electrodes into organic layers, where significant energy barriers at the interfaces often impede efficient charge injection.
Amarja S. Katware, Woo‐Sam Kim, Jee‐Hun Jang, Hanbeen Lee, Al Amin, Jino Im, Beom‐Soo Kim, Jeong‐Hwan Lee   +7 more
wiley   +1 more source

Accurate Prediction of HOMO–LUMO Gap Using DFT Functional and Application to Next‐Generation Organic Telluro[n]Helicenes Materials [PDF]

Rahul Kumar, Rahul Kar, Dilip Kumar Maity   +2 more
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Hybridized Charge‐Transfer Window within a Fully Conjugated Multi‐Resonance Thermally Activated Delayed Fluorescence Framework for Ultrafast Reverse Intersystem Crossing and High‐Efficiency in Deep‐Blue Organic Light‐Emitting Diodes

Advanced Materials, EarlyView.
A hybridized charge‐transfer window combining short‐range and long‐range charge transfer is realized within a fully conjugated multi‐resonance thermally activated delayed fluorescence framework. The resulting excited‐state hybridization minimizes the singlet–triplet energy gap (0.04 eV) and enables ultrafast reverse intersystem crossing (krISC = 2.1 ...
Uisung Lee, Kyungwoo Jeong, Sunwoo Kang, Jun Yeob Lee   +3 more
wiley   +1 more source

Engineering Small HOMO–LUMO Gaps in Polycyclic Aromatic Hydrocarbons with Topologically Protected States [PDF]

Kaitlin Slicker, Aidan Delgado, Jingwei Jiang, Weichen Tang, Adam L. Cronin, Raymond Blackwell, Steven G. Louie, Felix R. Fischer   +7 more
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Synthesis, Molecular Structure, HOMO-LUMO and Spectroscopic Investigation of(E)-1-(2,4-Dichloro-5-fluorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one:A DFT Based Computational Exploration

, 2020
Vishnu A. Adole, Ravindra H. Waghchaure, Thansing B. Pawar, Bapu S. Jagdale, Kailas Haribhau Kapadnis   +4 more
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Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate

, 2022
Merzouk Saidj, Ahmed Djafri, Rachida Rahmani, Nour El Houda Belkafouf, Nourdine Boukabcha, Ayada Djafri, Abdelkader Chouaıh   +6 more
openalex   +2 more sources

Electron‐Induced Molecular Programming Drives Interfacial Chemistry for Ah‐Level Zinc Batteries

Advanced Materials, EarlyView.
We establish an electron‐driven molecular programming strategy that converts spontaneous solid electrolyte interphase formation into a bonding‐defined interfacial architecture. Coordinative integration of p‐bromoaniline with ZnF2 forms a dipole‐regulated molecular lock that reconfigures interfacial electrostatics, suppresses parasitic water reactions ...
Feifei Wang, Yuhang Zhuang, Jiwei Shi, Haojie Zhang, Peng Zhang, Songshan Bi, Hyejung Yang, Wenqiang Yang, Stuart S. P. Parkin, Chunpeng Yang, Quan‐Hong Yang, Ali Shaygan Nia, Xinliang Feng   +12 more
wiley   +1 more source