Results 231 to 240 of about 66,179 (347)

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

Tin-Tin π Bonding as a Conduit for Alkali-Metal Reduction. [PDF]

Angew Chem Int Ed Engl
Morales A, Pearce KG, Morris LJ, Hill MS, McMullin CL, Richards E.   +5 more
europepmc   +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

Electronic Structure of the Au Nanoparticle-TiO₂ Heterojunction: Influence of Nanoparticle Size, Shape, Oxygen Vacancies, and Temperature. [PDF]

J Phys Chem C Nanomater Interfaces
Mora Perez C, Glenna DM, Hermosillo E, Donnellan Z, Ghosh S, Gessner O, Qian J.   +6 more
europepmc   +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

Synthesis and photoluminescence of iridium(III) arylacetylide complexes with acetylide-localized emissive excited states. [PDF]

Dalton Trans
Phan SNT, Schober JV, Wu JI, Teets TS.
europepmc   +1 more source

Bioinspired Microphase‐Engineered Binders for Silicon Anodes

Advanced Science, EarlyView.
Inspired by the tough exoskeleton of Phloeodes diabolicus, a bio‐based binder featuring LRA–click chemistry and hierarchical crosslinking forms well‐defined microphase‐separated structures that enable robust silicon anodes. This system promotes the formation of a LiF–rich, ultrathin SEI (∼17 nm) with high modulus and ionic conductivity, ensuring long ...
Lirong Tang, Lan Zhao, Zhiyi Cao, Fengcai Lin, Biao Huang, Haijun Li, Lingling Qian, Yingshan Shi, Yaohang Weng, Xuan Yang, Hanyang Liu, Beili Lu, Jianhua Lv, Xinda You, Jiayu Tao, Zhenwei Wu   +15 more
wiley   +1 more source

Real-Space Constrained Density Functional Theory Investigation of Site-Specific, Interfacial Charge Recombination Dynamics Across the Au Nanoparticle/TiO₂ Heterojunction. [PDF]

J Phys Chem Lett
Glenna DM, Mora Perez C, Hermosillo E, Zhao H, Qian J.   +4 more
europepmc   +1 more source

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

Record‐High Performance Hyperfluorescent OLEDs Achieved via Electronic Structure Control of Chlorine‐Diversified MR‐TADF Emitters

Advanced Science, EarlyView.
A late‐stage diversification strategy for the benchmark MR‐TADF emitter ω‐DABNA enables precise electronic structure control via chlorine‐activated functionalization. The resulting derivatives achieve tunable emission from 523 to 533 nm with record‐high EQE1000 up to 34.0% and excellent color purity (CIEy = 0.70–0.73), establishing a versatile platform
Taehwan Lee, Junki Ochi, Shigetada Uemura, Feiran Liu, Jiping Hao, Yasuhiro Kondo, Masahiro Hayakawa, Takuji Hatakeyama   +7 more
wiley   +1 more source