Results 191 to 200 of about 3,479,040 (391)

Stabilization of Miscible Aqueous Phases via Diffusion‐Controlled Multifunctional Nanoparticle‐Ligand Complexation

Advanced Functional Materials, EarlyView.
This study presents a versatile approach to harnessing miscible aqueous domains, enabling liquid‐in‐liquid compartmentalization using a barrier formed in situ rather than bulk immiscibility. The barrier forms upon the complexation of multifunctional nanoparticles and ligands at the contact boundary of aqueous phases.
Seyyed Alireza Hashemi, Mahyar Panahi‐Sarmad, Ahmadreza Ghaffarkhah, Vahid Rad, Masoud Soroush, Thomas P. Russell, Orlando J. Rojas, Mohammad Arjmand   +7 more
wiley   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Comment on the calculations in protein thermodynamics [PDF]

Journal of Biological Chemistry, 2018
Jonghoon, Kang, Kyle V, Brooks
openaire   +2 more sources

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence. [PDF]

J Phys Chem Lett
Aoki T, Harada R.
europepmc   +1 more source

Localized High‐Concentration Electrolyte with Water‐Miscible Diluent Enables Stable Zinc Deposition and Long‐Life Aqueous Zinc Metal Batteries

Advanced Functional Materials, EarlyView.
A diisopropyl ether (DIPE)‐based, localized, high‐concentration electrolyte is developed to stabilize both electrodes in aqueous zinc batteries. By reducing water activity and promoting anion‐rich zinc‐ion solvation, it builds robust interphases at both the cathode and anode, ensuring uniform deposition, suppressed corrosion, and highly reversible ...
Yuxuan Wu, Ziwei Zhao, Yue Fei, Hao Zhang, Ge Li   +4 more
wiley   +1 more source

Exergy Analysis of Sulfuric Acid Production: A Systematic Framework Using UniSim Design. [PDF]

ACS Omega
Ferreira UG, Vaz da Costa T, Neiro SMDS.
europepmc   +1 more source

JEQUIL: Thermodynamic Equilibrium Calculation Program

JEQUIL: Thermodynamic Equilibrium Calculation Program
This manual describes the theoretical methods used by the JQUIL software to perform thermodynamic equilibrium calculations and the numerical algorithms used to solve them. The equilibrium state is calculated by minimizing the Gibbs free energy of the reaction system.
openaire  

CALCULATION OF THE PARTIAL STRUCTURE FACTORS IN BINARY LIQUID ALLOYS BY A THERMODYNAMICAL APPROACH

, 1980
M. Favre-Bonte, J.C. Joud, P. Hicter, P. Desré   +3 more
openalex   +2 more sources

Selective Separation of the Rare Earth Elements Dysprosium and Neodymium via Tailoring Nanocellulose Chemical Structure

Advanced Functional Materials, EarlyView.
Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani, Shang‐Lin Yeh, Karuna Anna Sajeevan, Mica L. Pitcher, Dawson Alexander, Ratul Chowdhury, Amir Sheikhi   +6 more
wiley   +1 more source