Results 61 to 70 of about 24,331 (288)

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title compound, C18H12O3S2, synthesized by the Claisen–Schmidt condensation method, the essentially planar chalcone unit adopts an s-cis configuration with respect to the carbonyl group within the ethylenic bridge.
Ainizatul Husna Anizaim, Muhamad Fikri Zaini, Muhammad Adlan Laruna, Ibrahim Abdul Razak, Suhana Arshad   +4 more
doaj   +1 more source

Rationally Designed Bilayer Passivation Strategy for High‐Performance Vacuum‐Processed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan, Sang‐Heon Lee, Jaswinder Singh, Sung‐Nam Kwon, Seok‐In Na   +4 more
wiley   +1 more source

Highly Systematic and Efficient HOMO-LUMO Energy Gap Control of Thiophene-Pyrazine-Acenes

, 2013
We report a series of unique and simple donor-acceptor-donor molecular systems that provide compelling insights into the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap. In this system, thiophene and pyrazine-
Brownell, Lacie V., Lee, Youngu, Jeong, Youngjun, Robins, Kathleen A., Lee, Dong-Chan   +4 more
core   +1 more source

Formation of Quasi‐Decoupling Interface on Li‐Metal Anodes in High Donor Electrolyte

Advanced Functional Materials, EarlyView.
Li‐metal anode (LMA) is stabilized by introducing Li2Te2 as an electrolyte additive for Li‐metal batteries. Upon contact with Li, Li2Te2 spontaneously converts to Li2Te, which electronically isolates Li from dimethyl sulfoxide due to its large bandgap and minimal Bader charge transfer.
Hyerim Kim, Sunggun Lim, Shivam Kansara, Jimin Park, Hyoju Lee, Hyokyeong Kang, Soohyung Park, Chihyun Hwang, Hansu Kim, Jang‐Yeon Hwang   +9 more
wiley   +1 more source

CO fixation to stable acyclic and cyclic alkyl amino carbenes: Stable amino ketenes with a small HOMO-LUMO gap

, 2006
Lavallo V, Canac Y, Donnadieu B, Schoeller W, Bertrand G. CO fixation to stable acyclic and cyclic alkyl amino carbenes: Stable amino ketenes with a small HOMO-LUMO gap. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.
Lavallo, Vincent, Canac, Yves, Schoeller, Wolfgang, Bertrand, Guy, Donnadieu, Bruno   +4 more
core   +1 more source

Exciton Binding Energy of Phosphorescent Emitter Molecules in Organic Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
Energy level alignment is key to efficient OLED design, yet determining LUMO energies remains challenging. A methodology based on field‐induced dissociation and kinetic Monte Carlo simulations is presented to extract LUMO energies of iridium‐based phosphorescent emitters from their exciton binding energy.
Hiroki Tomita, Lucas R. L. Norg, Patrick Diederen, Clint van Hoesel, Christ H. L. Weijtens, Peter A. Bobbert, Reinder Coehoorn   +6 more
wiley   +1 more source

Highly Systematic and Efficient HOMO–LUMO Energy Gap Control of Thiophene-Pyrazine-Acenes

, 2016
We report a series of unique and simple donor–acceptor–donor molecular systems that provide compelling insights into the highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap. In this system, thiophene and pyrazine-
Lacie V. Brownell (1745767), Dong-Chan Lee (1419031), Youngjun Jeong (1611298), Youngu Lee (1611289), Kathleen A. Robins (1875106)   +4 more
core   +1 more source

The Ni,Cd Heteroatoms‐Initiated Synergistic Tuning of Electron Configuration in Fe2VO4 Nanosheets Electrocatalysts to Profoundly Stabilize Alkaline Seawater Electrolysis

Advanced Functional Materials, EarlyView.
A Ni,Cd‐codoped Fe2VO4/NF bifunctional electrocatalyst is rationally designed for efficient seawater electrolysis. Synergistic effect modulates electron configuration, optimizes intermediates adsorption, stabilizes high‐valence Fe/V sites, and repels chloride ions to suppress corrosion and side reactions, thus contributing to performance improvement of
Weiguo Huang, Bin Fang, Tao Meng, Xiaodong Chen, Ya Chen, Xin Gao, Fei Liang, Hongchao Sun, Jiangmin Zou, Chao Yuan, Yuanyuan Shao, Peiyi Ji, Yangang Wang, Lifeng Cui, Guoxiu Wang, Duu‐Jong Lee   +15 more
wiley   +1 more source

IR spectroscopic study, HOMO-LUMO, NBO analysis, and some calculations on H2O, H2S, H2Se and H2Te by density functional method [PDF]

شیمی کاربردی روز, 2013
In this investigation, IR spectroscopy, HOMO-LUMO analysis, NBO analysis, polarity determination, bond length, bond angle, natural charge of atoms, hardness, Softness, electrophilicity index and chemical potential from H2O to H2Te are calculated.
Leile Rahimi ahar, Zohreh Rahimi ahar, Lida Asadi   +2 more
doaj   +1 more source

Ionic Transportation Induced Electric Field Modulation in Porous Ecoflex/PTFE with Confined Liquid for High‐Performance Contact Electrification Power Generation

Advanced Functional Materials, EarlyView.
Porous Ecoflex/PTFE composite with encapsulated liquid generates electricity through ionic migration induced by dynamic pore deformation, creating non‐uniform electric fields that drive charge induction on electrodes. This mechanism enhances charge transfer and ensures stable contact electrification performance, achieving 12 V and 4 nC with consistent ...
Xiangkun Bo, Juyang Wei, Zihua Li, Yuejiao Chen, Hong Fu, Bingang Xu   +5 more
wiley   +1 more source