Results 111 to 120 of about 336,307 (265)

Counterdiabatic ADAPT-VQE for Molecular Simulation. [PDF]

J Chem Theory Comput
Tancara D, Díaz-Moraga H, Goyeneche D.
europepmc   +1 more source

Fully Additive Vertical Organic Electrochemical Transistors on Renewable and Compostable Substrates Enable Ultrasensitive Bioelectronics

Advanced Functional Materials, EarlyView.
Fully additive vertical organic electrochemical transistors (vOECTs) with channel‐length of 226 nm on a 50 µm compostable substrate achieve >106 current modulation and ∼36 mS transconductance. Ion‐selective integration enables 1.1 mA dec−1 sensitivity and 36 µm detection limit, highlighting a scalable platform for sustainable electronics and ...
Giulia Frusconi, Samuele Lavelli, Zsolt M. Kovács‐Vajna, Fabrizio Torricelli   +3 more
wiley   +1 more source

Experimental and Molecular Simulation Study of Methyl Orange Adsorption on ZIF-67. [PDF]

Int J Mol Sci
Gao L, Bexeitova K, Sapargali I, Kudaibergenov K, Baimenov A, You T, Azat S, Lee J.   +7 more
europepmc   +1 more source

Structure‐Guided Dynamical Mechanics in Bioinspired Double Twisted Laminated Thin Films

Advanced Functional Materials, EarlyView.
This work explores a dynamic mechanistic study of crack propagation and puncture testing via real‐time monitoring of crack initiation, propagation, and termination through nature‐inspired single and double twisted architectures fabricated from cellulose nanocrystals.
Justin Brackenridge, Olivia Harper, Jaejun Lee, Sergio Gonzalez‐Munoz, Vladimir V. Tsukruk   +4 more
wiley   +1 more source

Molecular Simulation Study of Crude Oil Desorption Behavior during Low-Salinity Waterflooding. [PDF]

ACS Omega
Liu X, Cheng Y, Yao T, Chen Y, Tian Y.
europepmc   +1 more source

Bio‐Inspired Synthesis of Macroporous Single Crystal Particles as Scattering Agents

Advanced Functional Materials, EarlyView.
A general strategy is presented that delivers unique, single‐crystal microparticles that combine submicron macroporosity and uniform particle shapes. A bioinspired approach is used to occlude three distinct types of additives – polystyrene microspheres, polymer vesicles and amino acids – within calcite single crystals, and subsequent thermal annealing ...
Stephanie E. Foster, Gianni Jacucci, Ouassef Nahi, Thomas Kress, Zabeada Aslam, Stuart Micklethwaite, Alexander N. Kulak, Rik Drummond‐Brydson, Melinda J. Duer, Yi‐Yeoun Kim, Silvia Vignolini, Fiona C. Meldrum   +11 more
wiley   +1 more source

CRISP: Enhancing ASE Workflows With Advanced Molecular Simulation Post-Processing. [PDF]

J Comput Chem
Saha I, Willimetz D, Grajciar L.
europepmc   +1 more source

Bio‐Derived Polyelectrolyte Additive–Induced Interfacial Ion‐Diffusion Barriers for Nonvolatile Organic Artificial Synapses

Advanced Functional Materials, EarlyView.
Sodium alginate regulates interfacial ion transport and retention in electrolyte‐gated synaptic transistors. The carboxylate‐rich polymeric network forms a dynamic interfacial ion‐diffusion barrier that facilitates ion injection during programming while suppressing ion back‐diffusion, thereby stabilizing the electrochemically doped channel state.
Chaeyeon Han, Donghwa Lee, Hyeonse Kim, Hyoik Jang, Sein Chung, Geun Yeol Bae, Eunho Lee   +6 more
wiley   +1 more source

Developing Efficient and Accurate Polarizable Molecular Simulation Models for Studying Refrigerants and Their Binary Mixtures. [PDF]

J Phys Chem B
Wang H, Tse YS.
europepmc   +1 more source

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source