Results 151 to 160 of about 115,198 (295)

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

Desenvolvimento de dispositivos orgânicos emissores de luz [PDF]

, 2012
Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Física, Florianópolis, 2010Neste trabalho são apresentados os resultados da produção e caracterização de dispositivos ...
Pereira, Alessandra
core  

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

MIS FTALOSIANIN KOMPLEKSIDAGI IZOINDOL LIGANDINING HOMO-LUMO TAHLILI

Ligand molekulasining elektron zichligi taqsimoti, HOMO-LUMO energiya oralig‘i, dipol momenti, elektrostatik potensial yuzalari hamda reaktivlik indekslari aniqlanib, ularning kompleksning umumiy barqarorligiga ta’siri tahlil etildi. Tadqiqot natijalari mis ionining koordinatsion muhitdagi elektronik roli va ligand bilan o‘zaro ta’sirini chuqur ...
SHUKUROV, DILMUROD, SAIDOVA, ZILOLA, ESHMURODOV, SHOXRUH   +2 more
openaire   +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

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

Polyether-tethered imidazole-2-thiones, imidazole-2-selenones and imidazolium salts as collectors for the flotation of lithium aluminate and spodumene. [PDF]

RSC Adv, 2023
Acker S, Namyslo JC, Rudolph M, Strube F, Fittschen UEA, Qiu H, Goldmann D, Schmidt A.   +7 more
europepmc   +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

Synergistic Probe Combining Lysosome Anchoring and Tumor Defense System Targeting for Precise Tumor Visualization

Advanced Science, EarlyView.
A new generation of high‐precision fluorescent probes based on the lysosomal characteristics in tumor metabolic reprogramming and overexpressed tumor markers. The probe (CN‐D‐GGT) selectively label cancer cells in co‐culture systems and distinguish tumor lesions from inflamedand normal tissues in vivo, enabling precise tumor imaging.
Yang Shen, Jiawei Li, Ruixi Yi, Ling Shi, Wei Li, Sulai Liu, Lin Yuan   +6 more
wiley   +1 more source