Results 41 to 50 of about 147,708 (238)

Fabrication of Pyridinic Nitrogen‐Functionalized Carbon Cloth for High‐Performance Iron‐Chromium Flow Batteries

Advanced Functional Materials, EarlyView.
The carbon cloth electrode with targeted pyridinic nitrogen doping, achieved via urea pyrolysis, effectively modulates the adsorption of Cr(II) species and enhances electron transfer, leading to significantly improved kinetics of the Cr(II)/Cr(III) reaction. The material demonstrates a high discharge capacity of 689.3 mAh and an energy efficiency of 72.
Jinfeng Yi, Senwei Zeng, Runfa Zhao, Guangfu Wu, Zhi Liu, Tianhang Zhou, Chunming Xu, Jia Guo, Quan Xu, Yingchun Niu   +9 more
wiley   +1 more source

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Simulating Hard Rigid Bodies

, 2009
Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in condensed matter.
Alder, Allen, Allen, Allen, Allen, Allen, Andersen, Blaak, C. De Michele, Corezzi, Corezzi, Cruz, de Gennes, de la Pena, De Michele, De Michele, De Michele, De Michele, Donev, Donev, Donev, Donev, Donev, Eberly, Ericson, Foffi, Foffi, Frenkel, Frenkel, Frenkel, Go, Goldstein, Gray, Hansen, Het, Jiao, Jiao, Kolafa, Landau, Lee, Lubachevsky, Onsager, Parsons, Perram, Press, Pusey, Rapaport, Rimon, Samborski, Scala, Sciortino, Talbot, Taylor, Tijpto-Margo, van Zon, Veerman, Vieillard-Baron, Vroege, Weeks, Whittaker, Wu   +60 more
core   +1 more source

LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models

Advanced Functional Materials, EarlyView.
This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran, Diane C.A. Lima, Linda Sandblad, Madeleine Ramstedt, Thereza A. Soares, Stefan Salentinig   +5 more
wiley   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

Optimizing Event-Driven Simulations

, 2010
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion.
De Michele, Cristiano
core   +1 more source

Ultrasmall Platinum Nanoparticles for Radiation‐Enhanced Cancer Therapy

Advanced Functional Materials, EarlyView.
This work proposes a nanomedicine‐based strategy to enhance X‐ray radiotherapy for cancer treatment. Ultrasmall Pt‐NPs exhibit catalase‐like activity that may contribute to modulation of the tumor microenvironment and amplify interactions between radiation and biological matter, leading to increased DNA damage.
Miguel Encinas‐Gimenez, Jose I. Garcia‐Peiro, Jose L. Hueso, Eduardo Caleiras, Laura Notario, Felipe Hornos, Pilar Martin‐Duque, Antonio De la Vieja, Jesus Santamaria   +8 more
wiley   +1 more source

Assembly of Cell‐Seeded 3D Printed Hydrogel Modules with Perfusable Channel Networks

Advanced Functional Materials, EarlyView.
Macroscale assembly was utilized to prepare perfusable tissue constructs from individually 3D printed hydrogel modules with embedded branched channel networks and port arrays for cell seeding. Novel multi‐material bioreactors were fabricated to facilitate the gluing of individual modules and the perfusion culture of assembled modular constructs seeded ...
Zachary J. Geffert, Daniel Fougnier, Bo Van Durme, Jenna Grutzmacher, Ryan Clarke, Susan Cao, Zhenghao Li, Ujjwal Aryal, Jason A. Horton, Sandra Van Vlierberghe, Pranav Soman   +10 more
wiley   +1 more source

Novel effects of strains in graphene and other two dimensional materials

, 2016
The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces.
Amorim, B., Cortijo, A., de Juan, F., Grushin, A. G., Guinea, F., Gutiérrez-Rubio, A., Ochoa, H., Parente, V., Roldán, R., San-José, P., Schiefele, J., Sturla, M., Vozmediano, M. A. H.   +12 more
core   +2 more sources

Structural and Chemical Engineering of Sub‐Nanochannel Membranes Toward Ion Selectivity

Advanced Functional Materials, EarlyView.
This review summarizes recent advances in structural and chemical engineering of sub‐nanochannels for ion selectivity. We first introduce fundamental ion transport mechanisms within sub‐nanochannels, followed by strategies to tune pore size, geometry, and surface functionalities, categorized into charge‐based, ion‐recognition, hydrophilic bonding, and ...
Yuyu Su, Huacheng Zhang, Tamar L. Greaves, Qi Han, Weiwei Lei, Dan Liu   +5 more
wiley   +1 more source