Results 121 to 130 of about 30,464 (215)

Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians. [PDF]

J Chem Theory Comput
Bonfirraro L, Weser O, Song M, Li Manni G.   +3 more
europepmc   +1 more source

An Ion‐Based Strategy Toward Synergistic Surface Functionalization Combining the Osteogenic Properties and NIR‐Mediated Antibacterial Activity of PEEK

Advanced Materials, EarlyView.
A multifunctional bioactive PEEK‐based implant (Mn@p/MBG‐SPEEK) is engineered to combat implant‐associated infections while promoting osteogenesis. The hybrid surface activates PI3K/Akt/mTOR and AP‐1 signaling pathways for osteogenic differentiation, while Mn coordination induces electronic coupling that narrows the HOMO‐LUMO energy gap and enhances ...
Zhiyan Xu, Ondřej Adam, Marek Doubrava, Ana M. Beltrán, Ivo Dlouhý, Xin Liu, Baiyan Sui, Aldo R. Boccaccini   +7 more
wiley   +1 more source

A Systematic Review on Chinese Baijiu Aging Process in Cellular Built Environment: States, Challenges, and Directions. [PDF]

Food Sci Nutr
Li J, Wen Y, Yi C, Zhou W, Zhang Y.
europepmc   +1 more source

Field‐Programmed Anisotropy in Magneto‐Piezoelectric Composites for Material‐Encoded Mechanoperception

Advanced Materials, EarlyView.
Field‐programmed anisotropy imparts material‐level intelligence to soft composites. Magnetic torque dynamics drive magneto‐piezoelectric nanowires from random dispersion into deterministic axial alignment. The resulting hierarchical percolation networks confine electromechanical coupling to specific axes and intrinsically decouple superposed force ...
Yubin Kim, Yumin Kwon, Dabin Kim, Minsun Oh, Jin Young Jung, Dongyeong Gim, Kootak Hong, Jun Yeon Hwang, Sang‐Woo Kim, Minjeong Ha   +9 more
wiley   +1 more source

Effects of phase transition and thermodynamics on the dynamics of cavitation bubbles collapsing near a solid boundary and the associated 3D flow. [PDF]

Ultrason Sonochem
Lantermann U, Moloudi G, Dawoodian M, Sagar HJ, El Moctar O.   +4 more
europepmc   +1 more source

Organic–Inorganic Hybrid Hole‐Selective Layer Interface Engineering for Enhanced Photoelectrochemical Water Oxidation on Bismuth Vanadate Photoanodes

Advanced Materials, EarlyView.
In this research the [4‐(3,6‐dimethyl‐9H‐carbazol‐9‐yl)butyl] phosphonic acid (Me‐4PACz) self‐assembled monolayers (SAMs) to bond with NiOx is first designed to be the organic‐inorganic hybrid hole‐selective layers, which promotes the BiVO4 photoanodes photoelectrochemical water splitting performance with 6.9 mA cm−2 photocurrent at 1.23 VRHE and at ...
Kaige Tian, Dingyanyan Zhou, Jiafan Zhang, Zhennan Wang, Yujin Ji, Youyong Li, Hui Li, Zhong‐Yong Yuan, Shuit‐Tong Lee, Tianyi Ma, Junqing Yan   +10 more
wiley   +1 more source

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations. [PDF]

J Chem Theory Comput
Hilfiker M, Medrano Sandonas L, Tkatchenko A, Engkvist O, Klähn M.   +4 more
europepmc   +1 more source

Decoupling Activation and Preservation: Architectural Design Principles of Organic Frameworks for Selective Photocatalytic Methane Oxidation

Advanced Materials, EarlyView.
Selective methane (CH4) photooxidation emerges from architectural decoupling of activation and preservation. Programmable organic semiconductor frameworks spatially organize oxidative flux and intermediate residence, separating reaction zones from product domains to synchronize activation strength with stabilization and establish a selective oxidation ...
Minxian Zhang, Jie He, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Unveiling a flip-over retention mechanism in the gas-phase Cl^- + (CH₃)₃CI S_N2 reaction. [PDF]

Nat Commun
Lu X, Meyer J, Li L, Carrascosa E, Bastian B, Michaelsen T, Fu B, Zhang DH, Wester R.   +8 more
europepmc   +1 more source

A‐Site High‐Entropy Perovskite Enabling Sulfur‐Tolerant and Coking‐Resistant Anodes for Hydrocarbon‐Fueled Solid Oxide Fuel Cells

Advanced Materials, EarlyView.
A‐site high‐entropy engineering creates a robust Pr0.2Ba0.2La0.2Sr0.2Ca0.2FeO3‐δ (PBLSCF) perovskite‐based solid oxide fuel cell (SOFC) anode with in situ Fe nanoparticle exsolution to boost fuel oxidation and durability, achieving strong sulfur tolerance and coking resistance.
Lei Wu, Yue Bao, Zhi‐Hao Wang, Haixia Li, John Meynard M. Tengco, Ramin Babazadeh Dizaj, Patrick Holcombe, Roozbeh Seifollahy Astaraee, Nathan Thornburg, Chuancheng Duan, Fanglin Chen   +10 more
wiley   +1 more source