Results 201 to 210 of about 27,503 (307)

Metal Detection by the Estimation of HOMO-LUMO and Global Reactivity Descriptors of 1-Methyl-1HImidazole Substituted Coumarin

A. Anthony Seleen, Jyothi Thundimadathil, R. Shwetha, Lohit Naik, Yin Yao, Yury Kapelyushin, Charles Mbohwa, U. Mahaboob Pasha   +7 more
openalex   +1 more source

Polyrotaxane‐Assembled Semi‐Interpenetrating Polymer Electrolytes Enabling High‐Voltage Lithium Metal Batteries

Advanced Science, EarlyView.
This work develops a polyrotaxane‐based supramolecular semi‐interpenetrating network electrolyte. Its unique architecture decouples ion transport, achieving high ionic conductivity (0.18 mS cm−1), a superior Li+ transference number (> 0.73), and an extended electrochemical window (> 4.9 V), thereby significantly enhancing the performance of high ...
Tianyi Wang, Yue Ma, Jiacheng Liu, Zhaofan He, Jin Liang, Kailiang Ren, Jie Kong   +6 more
wiley   +1 more source

Multi‐Level Confinement Single‐Molecule Charge Transfer Activated PRET for Near‐Infrared Targeted Cell Imaging

Advanced Science, EarlyView.
The cascade supramolecular assembly of charge‐transfer arrays not only triggered a topological transformation from nanofiber to nanorod and vesicles, but also promoted single‐molecule phosphorescent resonance energy transfer, expanding phosphorescence emission at 500 nm to near‐infrared delayed fluorescence emission at 650 nm with a lifetime of 11.20 ...
Zhuo Lei, Sai Li, Pei‐Ao Sun, Yong Chen, Xuejian Zhang, Yu Liu   +5 more
wiley   +1 more source

HOMO–LUMO Gap of [Au₃₈(SC₂H₄Ph)₂₄]⁰ Estimated by PhotoelectronSpectroscopy on Its MALDI-Generated Anion

Komei Akazawa (21600253), Shun Ito (1537675), Yuya Hamasaki (21600256), Kiichirou Koyasu (1596928), Tatsuya Tsukuda (1286898)   +4 more
openalex   +1 more source

2D Metal‐Organic Frameworks for High‐Performance Solid‐State Electrolytes: A Comprehensive Review

Advanced Science, EarlyView.
In this review, we elucidate the intrinsic advantages, synthetic methodologies, structural characteristics, ion‐transport mechanisms and performance optimization strategies while highlighting representative material systems and applications of 2D MOFs for electrolyte applications.
Changchun Ai, Yuan Tian, Yilei Shu, Peng Hang, Wentao Li, Yiling Yao, Huijuan Guo, Qun Yi, Hongmei Dai   +8 more
wiley   +1 more source

Mechanistic Analysis of Large Atomic Models of Molten Salt

Advanced Science, EarlyView.
This work uncovers the physical mechanism of large atomic models for molten salts by linking atomic contribution to electronic structure features. We demonstrate that energy predictions are physically determined by the local occupancy of frontier orbitals.
Yuliang Guo, Xiaobo Sun, Xiaoli Xi, Zuoren Nie   +3 more
wiley   +1 more source

Surface‐Bound Superoxide Radical‐Mediated Photo‐Fenton Mineralization of Ciprofloxacin on Fe‐Sillenite Nanosheets

Advanced Science, EarlyView.
This study systematically compares the degradation efficiency of CIP in a H2O2‐alone system and a novel Bi12FeO20‐H2O2 photo‐Fenton system. It reveals for the first time the presence of a quinone‐imine intermediate in the H2O2‐alone system, which exhibits toxicity comparable to CIP.
Wenting Qiu, Ji Liu, Hengjun Shang, Yaning Zhang, Shuai Dou, Jing Xu, Ying Zhang, Yang Lou, Yongfa Zhu, Chengsi Pan   +9 more
wiley   +1 more source

Simultaneously Achieving Efficient Narrow‐Band Emission and Large Emission Dissymmetry Factor in an Achiral Hybrid Indium Chloride

Advanced Science, EarlyView.
This work demonstrates that efficient CPL, characterized by high PLQY, large glum, and narrow‐band emission, can be achieved simultaneously in a ligand‐modified hybrid indium chloride crystallizing in an achiral space group. ABSTRACT To achieve high contrast in three‐dimensional display, circularly polarized luminescence (CPL) materials should ...
Haowei Lin, Abdusalam Ablez, Xinping Guo, Yingchen Peng, Jiance Jin, Zhihua Chen, Kezhao Du, Zeping Wang, Xiaoying Huang   +8 more
wiley   +1 more source

Predicting electronic properties of molecules: a stacking ensemble model for HOMO and LUMO energy estimation. [PDF]

RSC Adv
Mahmoudi O, Kim MH.
europepmc   +1 more source

On construction of upper and lower bounds for the HOMO-LUMO spectral gap

, 2018
Soña Pavlíková, Daniel Ševčovič
openalex   +1 more source