Results 191 to 200 of about 35,918 (305)

Equilibrium shape and surface termination of supported magnetite nanoparticles. [PDF]

Commun Chem
Haji Naghi Tehrani ME, Dolling DS, Schober JC, Beck EE, Kohantorabi M, Jeromin A, Ahrens-Iwers LJV, Keller TF, Vonk V, Vonbun-Feldbauer GB, Noei H, Stierle A.   +11 more
europepmc   +1 more source

Enhanced Photocatalytic H2O2 Production on Terpyridine‐Based Acrylonitrile‐Linked Covalent Organic Frameworks with Asymmetric Localized Electron Distribution

Advanced Materials, EarlyView.
Asymmetric localized electron distribution has been optimized in covalent organic frameworks to enhance *O2 adsorption and facilitate charge transfer, boosting photocatalytic two‐electron transfer oxygen reduction toward H2O2 production from water and air.
Qinglan Zhao, Mengmeng Ce, Hengtao Lei, Tianyun Jin, Zhipeng Xie, Yushen Liu, Shengyi Yang, Xinwen Ou, Mohammad Farhadpour, Song‐Zhu Kure‐Chu, Xuan‐He Liu, Liang Zhang, Jimmy C. Yu   +12 more
wiley   +1 more source

Screening Electrocatalysts at the Level of Kinetic Barriers under Realistic Potential and Solvation. [PDF]

JACS Au
Jin C, Zhao X.
europepmc   +1 more source

Phase Diagrams Enable Solid‐State Battery Design

Advanced Materials Interfaces, EarlyView.
Batteries are non‐equilibrium devices with inherent thermodynamic driving forces to react at interfaces, regardless of kinetics or operating conditions. Chemical potential mismatches across interfaces are dissipated via interfacial reactions. In this work, it is illustrated how phase diagrams and chemical potential maps predict degradation pathways but
Nathaniel L. Skeele, Matthias T. Agne
wiley   +1 more source

Predictive modeling in biology and medicine: Digital twins and multi-scale modeling. [PDF]

PLoS Comput Biol
Alber M, Smith A, Laubenbacher R, Merks RMH.   +3 more
europepmc   +1 more source

A Family of Sodium Solid‐State Electrolytes Based on the NaGaxAl1‐xCl4 Solid Solution

Advanced Materials Interfaces, EarlyView.
ABSTRACT Sodium‐based metal chloride solid electrolytes are promising for sodium solid‐state batteries due to their excellent oxidation stability, which, as shown for Li halides, can coexist with high ionic conductivity. To explore cationic substitution effects, we synthesized NaGaxAl1‐xCl4 (0 ≤ x ≤ 1) via ball milling and investigated structural and ...
Hao Guo, Matteo Bianchini
wiley   +1 more source

Special Issue "Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery". [PDF]

Int J Mol Sci
Liu H.
europepmc   +1 more source

Interface‐Engineered Binary Framework Composites: Advancing Porous Materials for Precision Medicine

Advanced Materials Interfaces, EarlyView.
Binary framework composites integrate two complementary porous architectures into a unified platform, enabling multifunctional design, enhanced structural tunability, and improved physicochemical performance. By combining high surface area, ordered porosity, interfacial synergy, and versatile functionalization, these hybrid materials offer new ...
Navid Rabiee, Mohammad Rabiee, Mohammad Akrami‐Hasan‐Kohal, Sidi A. Bencherif   +3 more
wiley   +1 more source

Xenes for Sustainable Energy: A Roadmap From First‐Principles Design to Practical Deployment

Advanced Materials Interfaces, EarlyView.
Emerging 2D Xenes are advancing from theoretical predictions toward practical energy‐storage and conversion technologies through the integration of first‐principles modelling, experimental synthesis, electrochemical validation, and AI‐assisted materials design, enabling accelerated discovery of high‐performance and sustainable electrochemical systems ...
Onur Karaman, Ceren Karaman
wiley   +1 more source

Electrolyte-Dependent, "Microscopically Irreversible" H-Atom Transfer Kinetics of Ce-Based Metal-Organic Framework, Ce-MOF-808. [PDF]

ACS Appl Mater Interfaces
Liuzzi-Vaamonde MA, Masood Z, Wang B, Tkachenko NV, Noh H.   +4 more
europepmc   +1 more source