Results 241 to 250 of about 1,053,365 (324)

Uniqueness of ab initio shape determination in small-angle scattering

, 2003
V. Volkov, D. Svergun
semanticscholar   +1 more source

Valence‐Engineering of CeO2 Redox Modulator Boosts the Oxygen Electrocatalysis Performance in Fe/Co Dual‐Atom Catalyst

Advanced Science, EarlyView.
Valence‐engineering of CeO2 redox modulator can remove the highly oxidative by‐products and accelerate the oxidation state transitions of Co/Fe centers in FeCo dual‐atom catalyst during oxygen reduction/evolution electrocatalysis. Therefore, the stability and activity issues are resolved, significantly enhancing the overall performance when used as an ...
Hengqi Liu, Jinzhen Huang, Shengyu Ma, Rui Xiong, Jiong Zhao, Qiang Fu, Hang Wei, Zhiguo Liu, Xianjie Wang, Tai Yao, Bo Song   +10 more
wiley   +1 more source

A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H₂S. [PDF]

ACS Earth Space Chem
Bariosco V, Pantaleone S, Ceccarelli C, Ugliengo P, Rimola A.   +4 more
europepmc   +1 more source

Inside the Microreactor: In Situ Real‐Time Observation of Vapor–Liquid–Solid Growth of Monolayer TMDCs

Advanced Science, EarlyView.
In situ observation of VLS growth in a confined microreactor reveals various growth modes of monolayer TMDCs, including abnormal ribbon growth and particle‐driven growth. The confined space and precursor balance influence droplet behavior and growth dynamics, offering new insights into the controlled synthesis of TMDCs via the VLS mechanism.
Hiroo Suzuki, Yutaro Senda, Kaoru Hisama, Shuhei Aso, Yuta Takahashi, Shun Fujii, Yasuhiko Hayashi   +6 more
wiley   +1 more source

Ab initio investigation of a hypersonic double cone experiment. [PDF]

Sci Adv
Grover MS, Valentini P, Bisek N.
europepmc   +1 more source

Superelastic High‐Entropy Oxide Ceramic Aerogels for Thermal Superinsulation and Sealing at Extreme Conditions

Advanced Science, EarlyView.
A high‐entropy oxide ceramic of (Gd1/2Lu1/2)2(Ti1/3Zr1/3Hf1/3)2O7 is prepared through a molecular synthesis route of pyrolytic solid‐solution reactions. The architectured nanofiber aerogel manifests unprecedented thermomechanical properties, including superelastic compressibility of 98% from −196 to 1500 °C, and thermal superinsulation capacity (24.14 ...
Xiaoke Jiang, Tao Du, Hengzhong Fan, Junhong Liu, Yunfeng Su, Peng He, Hongxiang Chen, Litian Hu, Yongsheng Zhang, Qiangqiang Zhang   +9 more
wiley   +1 more source

Nanoscale size effects in α-FAPbI₃ evinced by large-scale ab initio simulations. [PDF]

Nat Commun
Carnevali V, Agosta L, Slama V, Lempesis N, Vezzosi A, Rothlisberger U.   +5 more
europepmc   +1 more source

IgG‐Bridging–Seeded Synergistic Aggregation of SARS‐CoV‐2 Spikes Underlies Potent Neutralization by a Low‐Affinity Antibody

Advanced Science, EarlyView.
Low‐affinity antibodies are frequently disregarded in discovery pipelines. This work reports P5‐1C8, a Class 1 SARS‐CoV‐2 antibody with weak trimer binding (KD‐to‐IC50 > 3700‐fold) yet potent neutralization of Omicron JN.1. Structural, biophysical, functional, and coarse‐grained simulations collectively demonstrate that transient inter‐spike IgG ...
Niannian Lv, Peng Chen, Xiaobin Dai, Hu Xu, Ziheng Li, Zelin Shan, Jinqian Li, Fenglin Guo, Yuanfang Chen, Jiayi Li, Yiqian Huang, Guizhi Dong, Yifan Jiang, Liang Chen, Xuanyu Nan, Hanjun Zhao, Kang Zhang, Shilong Fan, Yuanchen Dong, Dongsheng Liu, Xinquan Wang, Deli Huang, Xiaojing Pan, Chunying Chen, Zhihua Liu, Li‐Tang Yan, Qi Zhang, Linqi Zhang, Yuliang Zhao, Yuhe Renee Yang   +29 more
wiley   +1 more source

Single-cell metabolite annotation by tandem mass spectrometry imaging and <i>ab initio</i> molecular dynamics-based fragmentation. [PDF]

RSC Adv
Topalović M, Marković I, Periša V, Lukić M, Pavičić E, Lukić I, Mrđenović S, Lukačević I, Debeljak Ž.   +8 more
europepmc   +1 more source

Overcoming the Trade‐Off Between Magnetic Coupling and Electrical Insulation in Soft Magnetic Materials via Nanochain Engineering

Advanced Science, EarlyView.
This study employs a nanochain engineering approach combined with an in situ oxidation strategy to fabricate self‐insulating iron‐based magnetic nanochains, addressing the challenge of balancing magnetic coupling and electrical insulation in soft magnetic materials.
Dingrong Zuo, Lichen Liu, Haibo Ke, Rongsheng Bai, Huaping Ding, Jing Zhou, Zhenxiang Cheng, Peng Yu, Weihua Wang   +8 more
wiley   +1 more source