Results 41 to 50 of about 149,322 (236)

Enhancing Low‐Temperature Performance of Sodium‐Ion Batteries via Anion‐Solvent Interactions

Advanced Functional Materials, EarlyView.
DOL is introduced into electrolytes as a co‐solvent, increasing slat solubility, ion conductivity, and the de‐solvent process, and forming an anion‐rich solvent shell due to its high interaction with anion. With the above virtues, the batteries using this electrolyte exhibit excellent cycling stability at low temperatures. Abstract Sodium‐ion batteries
Cheng Zheng, Qian Yao, Yanan Sun, Hongyu Lv, Zhongchao Bai, Guoliang Zhang, Nana Wang, Jian Yang   +7 more
wiley   +1 more source

HOMO and LUMO structures of quinolone derivatives in gas and solvent (water) phase.

, 2022
HOMO and LUMO structures of quinolone derivatives in gas and solvent (water) phase.
Syeda Abida Ejaz (4816971), Z. A. Alrowaili (14020193), Zainab Mufarreh Elqahtani (14020187), M. S. Al-Buriahi (11831842), Khadijah Mohammedsalaeh Katubi (14020184), Farhan Siddique (8713605), Pervez Rashid Birmani (14020181), Amna Saeed (6635816), Samia ben Ahmed (14020190), Rabail Ujan (9286863)   +9 more
core   +1 more source

Donor‐Engineered Chiral Indium–Salen Complexes for Tunable Circularly Polarized Luminescence

Advanced Functional Materials, EarlyView.
Chiral indium–salen complexes bearing electronically and structurally diverse donor substituents are presented as modular main‐group luminophores exhibiting tunable blue‐to‐green circularly polarized luminescence. Donor engineering systematically controls frontier‐orbital distribution, intraligand charge transfer, and excited‐state relaxation ...
Haein Kim, Minseo Ji, Khuslen Bazarragchaa, Yubin Choi, Gahyeon Baek, Ji Hye Lee, Heekyung Park, Houng Kang, Hyonseok Hwang, Huiyeong Ju, Jun Hui Park, Youngjo Kim, Min Kim, Youngmin You, Myung Hwan Park   +14 more
wiley   +1 more source

CO2‐to‐CO Conversion in a Gas‐Fed, Zero‐Gap, PEM Electrolyzer Enabled by Polycations and Nitrogen‐Doped Carbon‐Supported Cobalt Nanoparticles

Advanced Functional Materials, EarlyView.
A gas‐fed, zero‐gap, PEM CO2 electrolyzer is realized by incorporating PDDA+ ions onto the carbonaceous Co/N‐C electrocatalyst, with gaseous H2 and CO2 fed into the anode and cathode, respectively. Operating without an aqueous electrolyte, the system sustains a peak FECO of 65.1% at 100 mA cm−2. ABSTRACT Electrochemical carbon dioxide reduction (ECO2R)
Yuen Leong Chow, Hsi‐Wen Wu, Aimin Li, Yalou Guo, Duhong Chen, Jie Zhang, Paul A. Webley   +6 more
wiley   +1 more source

Computational evaluation of triphenylimidazole-coumarin-3-carboxylic acid derivatives as potential sensitizers for dye sensitized solar cells

Discover Chemistry
Triphenylimidazole derivatives linked with coumarin-carboxylic acid were evaluated as sensitizers for DSSC applications through density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Coumarin-3-carboxylic acid
Idayat Sulaiman, Richard K. Adeleke, Bolatito E. Olanipekun, Olusola O. James   +3 more
doaj   +1 more source

Compounds derived from flavonoids for photovoltaic applications. Computational chemical investigations

Journal of the Turkish Chemical Society, Section A: Chemistry, 2018
In this paper, we present a quantum chemical analysis of geometries and optoelectronic properties of a series of flavonoids and derivatives with the aim to research new molecules for applications in the fields of chemical physics and materials science ...
Rachid Kacimi, Tayeb Abram, Lahcen Bejjit, Mohammed Bouachrine   +3 more
doaj   +1 more source

High‐Efficiency Deep Blue Single‐Gaussian Europium(II) Emitters and Their Emitter‐Host Interactions

Advanced Functional Materials, EarlyView.
Crown‐ether ligands and carborate anions enable vacuum‐processable Eu(II) emitters with efficient single‐Gaussian deep‐blue luminescence. Combined photophysical and computational analyses reveal that excited‐electron confinement and steric shielding of the europium center jointly govern compatibility with OLED host materials, establishing molecular ...
Mahmoud Soleimani, Paulius Imbrasas, Jan‐Michael Mewes, Felix Kaden, Stephanie Anna Buchholtz, Karl Leo, Sebastian Schellhammer, Carsten Rothe, Sebastian Reineke   +8 more
wiley   +1 more source

HOMO and LUMO orbitals of the investigated complexes using the B3LYP/SDD method.

, 2021
HOMO and LUMO orbitals of the investigated complexes using the B3LYP/SDD method.
Abeer A. Sharfalddin (10652888), Mariusz Jaremko (363140), Mostafa A. Hussien (9287436), Abdul-Hamid Emwas (1235382)   +3 more
core   +1 more source

Designing Vanadium‐Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning

Advanced Functional Materials, EarlyView.
This review establishes structure‐property‐mechanism relationships across six modification strategies for V‐based oxide water‐splitting electrocatalysts: lattice engineering, heteroatom doping, interface engineering, carbon‐based hybridization, morphology engineering, and surface reconstruction and pre‐catalyst design, where dissolution is reframed as ...
Youness El Issmaeli, Amina Lahrichi, Hoje Chun, Rafael Gómez‐Bombarelli, Bruno G. Pollet   +4 more
wiley   +1 more source

Deep Learning-Driven Molecular Generation and Electrochemical Property Prediction for Optimal Electrolyte Additive Design

Applied Sciences
Recently, generative models have rapidly advanced and are being applied to various domains beyond vision and large language models (LLMs). In the field of chemistry and molecular generation, deep learning-based models are increasingly utilized to reduce ...
Dongryun Yoon, Jaekyu Lee, Sangyub Lee
doaj   +1 more source