Results 141 to 150 of about 46,720 (301)

Substituent and Conjugation Effects on the Homo-Lumo Bandgaps of 9-Fluorenones, 9-Fluorenylidenes, and Related Derivatives [PDF]

, 2010
Fluorenones and related derivatives have been explored in many studies for the development of organic-based semiconducting materials. In such materials, the size of the bandgap and the relative energy levels of the highest-energy occupied molecular ...
Eakins, Galen L.
core  

Highly Flexible and Conformable ZnO/FeGa Magnetoelectric Heterostructures for Skin wound Healing

Advanced Science, EarlyView.
The magnetic field‐induced electric field generated by a highly flexile ZnO(piezoelectric)/FeGa(magnetostrictive) magnetoelectric heterostructure embedded in the low Young's modulus elastomer PDMS has been used to stimulate the wound healing processes.
Filippos Perdikos, Laia Bagur, Cristina Vaca, Aritz Lafuente, Joaquin Llacer‐Wintle, Bojan Ambrožič, Christina Stefani, Minsoo Kim, Goran Dražić, Darja Lisjak, Jordi Sort, Xiang‐Zhong Chen, Maria Jose Esplandiu, Salvador Pané, Carme Nogués, Josep Nogués, Andreu Blanquer, Borja Sepúlveda   +17 more
wiley   +1 more source

Electrochemical potential window of battery electrolytes: the HOMO-LUMO misconception [PDF]

A widespread misconception in the lithium ion battery literature is the equality of the energy difference of HOMO and LUMO of the solvent with the electrochemical stability window. HOMO and LUMO are concepts derived from approximated electronic structure
Girault, Hubert, Peljo, Pekka
core   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

Metal (n+1)p‐nd Orbital Hybridization and Excited‐State Metal–Ligand π‐Interactions Enable d10 Carbene‐Metal‐Amide TADF OLEDs with High Efficiency and Long Operational Lifetime

Advanced Science, EarlyView.
We elucidate the key roles of metal p‐d orbital hybridization, excited‐state metal–ligand π‐interactions, and structural rotation in TADF of d10 CMA complexes. Introducing electron‐withdrawing or π‐extended ligand substituents weakens excited‐state metal‐ligand π‐interactions and improves kTADF, but may compromise emitter stability in device operation.
Shuo Xu, Rui Tang, Qingyun Wan, Gang Cheng, Jun Yang, Chi‐Ming Che   +5 more
wiley   +1 more source

Kaupungin lumo

Yhdyskuntasuunnittelu, 2021
openaire   +3 more sources

Dipole‐Manipulated Built‐In Electric Field Enables Ultrafast Charge Separation in Perylene Diimide Polymers for Photoelectrochemical Water Splitting

Advanced Science, EarlyView.
Molecular dipole engineering in dendritic perylene diimide polymers through nitrogen‐rich heterocyclic linkers amplifies the built‐in electric field, enabling sub‐picosecond charge separation and efficient multi‐electron accumulation. This structure–dynamics–performance relationship establishes a versatile design strategy for high‐performance organic ...
Ying‐Xin Qiao, Zicong Situ, Yi‐Jing Chen, Shuo‐Xiang Liu, Jing‐Lan Zhang, Xingqing Li, Luo‐Han Xie, Si‐Hang Xie, Qing‐Xiao Tong, Andong Xia, Zhuoran Kuang, Jing‐Xin Jian   +11 more
wiley   +1 more source

Fluorescence Tuning of Carbon Dots from Red to Blue via UV‐Induced Photochemical Etching

Advanced Science, EarlyView.
A UV‐driven photochemical process enables continuous color evolution of carbon dots from red to blue using a single irradiation parameter. Progressive photoetching restructures graphitic domains and surface states, allowing full visible‐spectrum emission control.
Nanzhi Zheng, Yuchen Yang, Jingwei Xu, Jincheng Gan, Yinuo An, Xinyu Li, Guohua Chen   +6 more
wiley   +1 more source