Results 181 to 190 of about 23,361 (252)

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

Finite-Capacity Thermodynamics of Causal Horizons. [PDF]

Entropy (Basel)
Antiba CA.
europepmc   +1 more source

Blue‐Emitting ZnSe(Te) Quantum Dots and Light‐Emitting Diodes

Advanced Science, EarlyView.
 . ABSTRACT Zn‐based quantum dots (QDs) have been regarded as the most promising Cd‐free candidates for blue‐emitting applications. ZnSe QDs exhibit an ultra‐narrow full width at half maximum (FWHM), high photoluminescence quantum yield (PLQY), and excellent environmental stability, making them ideal for blue‐violet emitters.
Lijin Wang, Aiwei Tang, Jingbi You
wiley   +1 more source

Spin-Based Quantum Energy Devices: From Quantum Thermal Machines to Quantum Batteries. [PDF]

Entropy (Basel)
Chand S, Grazi R, Traverso Ziani N, Ferraro D.   +3 more
europepmc   +1 more source

Carbon Interlayer with Uniformly Anchored ZnO Nanoparticles: Surface‐Energy‐Driven Coble Creep for Practical Anode‐Free Solid‐State Batteries

Advanced Science, EarlyView.
We used a zinc oxide–carbon composite interlayer (ZnO@C) via the electron‐beam (e‐beam) irradiation method to fabricate a cost‐effective, high‐energy‐density, anode‐free solid‐state battery. Chemical anchoring between the ZnO and carbon enabled uniform nanoscale morphology, mitigating the high surface energy of the ZnO NPs.
Joonhyeok Park, Jeongheon Kim, Seungwoo Lee, Jaeik Kim, Il Woo Ock, Seunggun Choi, Jooheon Sun, Gunwoo Cha, Seungmin Han, Hyungjun Lee, Jun Lim, Hyun‐Suk Kang, Jiung Cho, Jong Sung Jin, Seho Sun, Ungyu Paik, Taeseup Song   +16 more
wiley   +1 more source

Volume-Law Entropy as a Mesoscopic Anomaly. [PDF]

Entropy (Basel)
Bougueroua L.
europepmc   +1 more source

Helicalization of Covalent Organic Framework Nanofibers with Amplified Spin Polarizability for Boosting Photocatalytic Hydrogen Evolution

Advanced Science, EarlyView.
A non‐covalent chirality‐induced strategy via chiral solvents is presented to synthesize helical 2D COF nanofibers with high crystallinity, high chirality, and high spin polarization. The helical structure enhances the concentration of photogenerated charges, suppresses exciton recombination, and extends carrier lifetimes, thereby significantly ...
Qi Zhong, Yongtu Tian, Yutao Sang, Changchun Wang, Jia Guo   +4 more
wiley   +1 more source

One‐Step, High‐Removal‐Rate and Low‐Damage Chemical Mechanical Polishing of InP Enabled by Hydrolysis Activated PF6− with In Situ Fluoride Passivation

Advanced Science, EarlyView.
In this work, we propose a CMP method for InP using NH4PF₆, which hydrolyzes under In3+ catalysis to form reactive species. These convert InP into low‐binding‐energy fluorides, facilitating removal and dissolution. The process delivers high material removal rates, smooth surfaces, and fluorine passivation that lowers defect density and improves ...
Shigong Fu, Jianwei Zhou, Chenwei Wang, Yanchao Ge, Chong Luo, Yuhang Qi   +5 more
wiley   +1 more source

Thermodynamic Limits of Fault-Tolerant Quantum Computing Beyond the Weak-Coupling, Quasistatic Regime. [PDF]

Entropy (Basel)
Guha Majumdar M.
europepmc   +1 more source

Efficient Electrocatalytic Conversion of CO2 to Pure Formic Acid Solutions via Strain‐Engineered Bismuth Nanosheets

Advanced Science, EarlyView.
Tensile‐strained bismuth nanosheets (TS‐BiNs) achieve a formate Faradaic efficiency of 92% at −1000 mA cm−2 and enable stable production of pure formic acid (HCOOH) in a solid‐state electrolyte reactor. Theoretical calculations reveal that the introduced strain lowers the energy barrier for *OCHO intermediate formation, fundamentally enhancing the ...
Shiqi Li, Yuefeng Zhang, Panzhe Qiao, Cuo Wu, Xinya Tian, Yufeng Xu, Yun Zhang, Peng Wang, Tingting Li, Muhammad Afaq, Xinlin Luo, Tang Wang, Chunxiao Liu, Zi‐You Yu, Chuan Xia, Min‐Rui Gao, Zhen‐Yu Wu   +16 more
wiley   +1 more source