Results 71 to 80 of about 3,408 (218)

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

A Refined Astrometric Approach Based on the Precision Premium and its Application to the Jupiter’s Satellite Himalia

The Astronomical Journal
Since the advent of Gaia catalog, positional precision of a ground-based telescope can be greatly improved by correction of more subtle errors, including positional biases induced by atmospheric turbulence, and some instrumental factors such as geometric
Z. J. Zheng, Q. Y. Peng, F. R. Lin, D. Li   +3 more
doaj   +1 more source

Simultaneous Wastewater‐to‐Hydrogen Upgrading via Mechanically Driven Piezocatalysis Over Ag‐ZnO Nanorods

Advanced Science, EarlyView.
A piezocatalytic strategy enables simultaneous wastewater purification and hydrogen generation by harnessing mechanical energy. Complementary piezo‐induced charges are selectively directed toward oxidation and reduction pathways, achieving efficient pollutant degradation and continuous H2 evolution.
Yiqing Wei, Jianghai Huang, Yejunchi Zhang, Yang Wang, Dongmei Li, Chaogang Ban, Peng Yu, Jiangping Ma, Zhenxiang Cheng   +8 more
wiley   +1 more source

Simulation of the Tianwen-4 Mission Contribution to Jupiter Gravity Field Improvement

The Astrophysical Journal
This study comprehensively evaluates the impact of the expected Chinese Tianwen-4 mission, in conjunction with the existing data from the Juno mission, on enhancing the understanding of Jupiter’s gravity field.
Zohaib Afzal, Jianguo Yan, Dominic Dirkx, Yong Huang, Zhen Wang, Zeeshan Haider, Jean-Pierre Barriot   +6 more
doaj   +1 more source

Surface Fermi Level Modulation of Photoanode by Optimized Conducting Nanoparticle Heterointerfaces for Enhanced Photoelectrochemical Water Splitting

Advanced Science, EarlyView.
Optimizing the heterointerface coverage of the conducting Ni2P nanoparticles on the surface of BVO photoanode manipulates the surface Fermi‐level modulation, which significantly enhances photoelectrochemical oxygen evolution reaction. Our multiscale simulations and experimental results reveal that an optimal Ni2P coverage of 9.4% pins the surface Fermi
Phuong Thi Pham, Seulgi Ji, Unbeom Baeck, Yuankai Li, Duong Nguyen Nguyen, Won Tae Hong, Yang You, John Moraros, Kyoungsuk Jin, Jun Young Lee, Chan‐Hwa Chung, Tae‐Hoon Kim, Jongwook Park, Heechae Choi, Jung Kyu Kim   +14 more
wiley   +1 more source

Dual‐Substrate Synergistic Photocatalysis: Exogenous Reagent‐Free Co‐Removal of Phenol and Cr(VI) via Electron‐Donor‐Mediated Redox Coupling over Modified Carbon Nitride

Advanced Science, EarlyView.
An exogenous reagent‐free dual‐substrate strategy harnesses phenol as an intrinsic electron donor to drive synchronous phenol degradation and Cr(VI) reduction over modified carbon nitride. π–π stacking and hydrogen bonding direct electron transfer to the catalyst, enriching photogenerated electrons and accelerating Cr(VI) reduction 6.4‐fold. This waste‐
Xiaoman Zhang, Qiyu Wang, Xiaodan Liu, Shuqi Wan, Cuiwei Du, Qilu Li, Chongfei Yu, Shuying Dong, Xianfa Su, Chun Hu   +9 more
wiley   +1 more source

Lewis‐Acid Engineering with Neodymium Promoters as Synergistic Nd‐Ni Dual Sites for Enhanced Urea Oxidation

Advanced Science, EarlyView.
The integration of rare‐metal neodymium centers to engineer Lewis acid sites with nickel centers is proposed as highly efficient UOR catalysts. ABSTRACT The sluggish kinetics of the urea oxidation reaction (UOR) are strongly associated with the high energy barriers required for the C‐N cleavage and N‐N coupling steps.
Mingfan Li, Jun Mei, Jiahao Zhao, Ruipeng Guo, Jing Shang, Ziyou Dong, Juan Bai, Qianqian Yao, Shixue Dou   +8 more
wiley   +1 more source

The Influence of Central Body Tides on Catastrophic Disruptions of Close-in Planetary Satellites

The Astrophysical Journal
We model the outcomes of catastrophic disruptions on small, gravity-dominated natural satellites, accounting for the tidal potential of the central body, which is neglected in classical disruption scaling laws. We introduce the concept of ${Q}_{\,\rm{TD}\
Harrison Agrusa, Patrick Michel
doaj   +1 more source

Rare‐Earth Mediated Engineering in ZnSe@ZnS:Eu3+ to Simultaneously Achieve Structural Modulation and Atomic Eu Doping Sites for X‐Ray Imaging

Advanced Science, EarlyView.
A dual hard‐base anchoring strategy was developed to synthesize ZnSe@ZnS:Eu3+ quantum dots, leveraging fluoride‐oleylamine interactions to create surface atomic Eu doping sites. By precisely tuning temperature, Eu3+ concentration, and fluoride levels, we obtain morphologies ranging from tip growth to coupled flower‐like structures.
Jicun Ma, Chenhao Yang, Jiada Fan, Haorong Jiao, Jiawang Liu, Jialiang Xu, Hui Cai, Yinghui Wang, Boyuan Shen, Jiabin Cui   +9 more
wiley   +1 more source

Molecular Evolution of H2O:O2 Ices at Different Temperatures in Simulated Space Environments. I. Chemical Kinetics and Equilibrium

The Astrophysical Journal
We computationally investigated the chemical evolution of H _2 O:O _2 ices (6:1 ratio) under irradiation by cosmic-ray analogs (0.8 MeV H ^+ ) at 9, 50, and 100 K to understand the implications the chemical evolution of O _2 -containing ices in space ...
J. R. C. Silva, L. M. S. V. Queiroz, L. F. A. Ferrão, S. Pilling   +3 more
doaj   +1 more source