Results 171 to 180 of about 8,716,920 (283)

Molecular Dynamics Simulation of NTO/TNPyO Co-Crystals for Targeted Acidity Regulation of NTO. [PDF]

Langmuir
Zhang Y, Yu Z, Xu H, Zhou L, Zhang X, Peng W, Zhang P, Chen H, Zhuang Z.   +8 more
europepmc   +1 more source

Water Organization and Hydration‐Dependent Hydroxide Transport in Anion Exchange Membranes (AEM)

Advanced Functional Materials, EarlyView.
Hydroxide transport in anion exchange membranes is governed by the organization of water within the polymer rather than by hydration alone. A hydration‐window framework is presented to unify transport, swelling, and mechanical stability, providing guidance for designing durable membranes for fuel cells and other hydroxide‐based electrochemical ...
Phumlani F. Msomi
wiley   +1 more source

Effects of Particle Size and Oxide Shell Thickness on the Oxidation Characteristics of Core-Shell Aluminum Nanoparticles Using Molecular Dynamics Simulation. [PDF]

Nanomaterials (Basel)
He S, Zhou Z, Zhang N, Chai L, Liu Q, Li K, Guo B, Ma L, Cheng X.   +8 more
europepmc   +1 more source

Reversible Tuning of Multiple Molecular Kinking for Stem Cell Regulation In Vivo

Advanced Functional Materials, EarlyView.
In this work, we introduce the novel concept of background component‐free “multiple kinks” material platform composed solely of liganded multiple kink‐bearing molecules as a strategy for dynamic biomaterial design. Tri‐kink molecules enable effective near‐infrared light‐triggered ligand masking and visible light‐triggered ligand exposure, thereby ...
Kanghyeon Kim, Jeongah Shin, Chowon Kim, Honghwan Choi, Dahee Kim, Sungkyu Lee, Choongmo Kang, Hyunsik Hong, Taehoon Ha, Nayeon Kang, Jungyeon Rhi, Ramar Thangam, Yuri Kim, Jeongyun Heo, Cheol Hwan Kwak, Jangsun Hwang, Daun Jeong, Rasoul Moradi, Sunghoon Hur, Hyun‐Cheol Song, Hyun‐Do Jung, Min Jae Lee, Rongqin Huang, Pooyan Makvandi, Yun Suk Huh, Ji Hye Choi, Wenguo Cui, Sehoon Kim, Heemin Kang   +28 more
wiley   +1 more source

System-Size Effects on the Molecular Dynamics Simulation of an All-Aromatic Liquid Crystal. [PDF]

ACS Phys Chem Au
Adenusi H, Vita F, Muccioli L, Lanciotti M, Francescangeli O.   +4 more
europepmc   +1 more source

Electrochemical Pathways for Nitrate Conversion to Ammonia: From Environmental Challenges to Ammonia Economy

Advanced Functional Materials, EarlyView.
This perspective presents recent advances in electrocatalytic nitrate reduction, focusing on reaction mechanisms, catalyst design, and electrolyzer configurations. Key challenges in selectivity, stability, and practical wastewater treatment are highlighted, while future directions for advancing sustainable ammonia synthesis and nitrate remediation are ...
Xintong Li, Yunpeng Zuo, Xiaoran Zhang, Jieqiong Shan, Kenneth Mei Yee Leung, Bin Liu, Peter Strasser, Adrian Fisher, Zonglong Zhu, Xin Wang   +9 more
wiley   +1 more source

Molecular Dynamics Simulation and Characterization of GelMA/HA Composite Microneedles for Potential Growth Hormone Transdermal Delivery. [PDF]

Gels
Gu J, Zhang H, Liu H, Peng B, Qiao Y, Gong P.   +5 more
europepmc   +1 more source

Exchange‐Coupled Two‐Dimensional MOFs

Advanced Functional Materials, EarlyView.
Graphene mediates ferromagnetic coupling between two‐dimensional metal‐organic frameworks and cobalt. Fe‐tetracyanobenzene develops a remanent magnetic response whose orientation follows the cobalt magnetization direction and persists up to room temperature, whereas Ni‐TCNB remains only field‐polarized.
Iulia Cojocariu, Pierluigi Gargiani, Manuel Valvidares, Frederik Schirdewahn, Matthias Muntwiler, Matteo Jugovac   +5 more
wiley   +1 more source

Interfacial Interaction and Sintering Mechanism of Cellulose/Polylactic Acid Composites in Selective Laser Sintering: A Molecular Dynamics Simulation. [PDF]

Polymers (Basel)
Tian Y, Yang X, Zhang H, Gong R, Zou L, Zhang H, Guo Y.   +6 more
europepmc   +1 more source

Advancing SafeWax, A Bio‐Inspired Superhydrophobic Coating, Toward Sustainable and Climate‐Resilient Crop Protection

Advanced Functional Materials, EarlyView.
This study advances SafeWax, a bio‐inspired, fatty‐acids‐based superhydrophobic coating, by identifying an agriculturally compliant solvent and revealing how solvent‐controlled Fatty acid crystallization governs the coating's microscopic structure and performance.
Niv Ben‐Arie, Iryna Polishchuk, Franziska Tauber, Coralie Schneider, Elena Prudnikov, Alessia Calora, Silvia Milita, Simona Fermani, Mireia Alejandra Ibanez Revert, Ilaria Filippetti, Claudio Ratti, Matthias Kellermeier, Markus Rueckel, Boaz Pokroy   +13 more
wiley   +1 more source