Results 181 to 190 of about 48,095 (282)

Configuring a Liquid State High‐Entropy Metal Alloy Electrocatalyst

Small, EarlyView.
A liquid‐state high‐entropy metal alloy is developed to overcome key kinetic bottlenecks in ammonia electrosynthesis from nitrate. Atomically dispersed active sites and a dynamic hydrogen‐shuttling mechanism enable barrier‐free deoxygenation and hydrogenation. Guided by molecular dynamics, design of experiments, and density functional theory, the alloy
Sahar Nazari, Ali Najmi, Priyank Kumar, Ali Zavabeti, Francois‐Marie Allioux, Anirudh Raju Natarajan, Dorna Esrafilzadeh, Ali R. Jalili   +7 more
wiley   +1 more source

Uncovering sequence effects in Titanium binding peptides adsorption on TiO₂: A molecular dynamics study. [PDF]

Sci Rep
Rahmani R, Lyubartsev AP.
europepmc   +1 more source

Free‐Standing Amphiphilic Organic Membrane toward Ultrafast and Efficient Demulsification

Small, EarlyView.
A free‐standing amphiphilic organic membrane (AOM‐1) is fabricated for the efficient demulsification of surfactant‐stabilized water‐in‐oil. The oxymoronic presence of PEG‐inspired hydrophilic core and hydrophobic alkyl chains in AOM‐1 enhances oil flux, recyclability, and separation capacity as compared to its hydrophobic counterpart.
Dipansu D. Behera, Adithyan Puthukkudi, Loknath Patro, B. L. Bhargava, Bishnu P. Biswal   +4 more
wiley   +1 more source

Effects of Conformational Sampling on Computing Redox Properties Using Linear Response Approach. [PDF]

J Phys Chem B
Maity S, Sarangi R, Acharya A.
europepmc   +1 more source

Reinforced Capacity and Cycling Stability of CoTe Nanoparticles Anchored on Ti3C2 MXene for Anode Material

Small Methods, EarlyView.
A Cobalt telluride (CoTe) nanoparticle‐anchored Ti3C2 MXene composite (CoTe@Ti3C2), synthesized via a hydrothermal approach, enhances electrochemical performance by leveraging the synergy between CoTe nanoparticles and Ti3C2 MXene nanosheets. Ti3C2 MXene enhances conductivity and structural stability, while CoTe nanoparticles prevent nanosheet ...
Ramesh Subramani, Su‐Yang Hsu, Wei‐Hsiang Huang, Zhiwei Hu, Kueih‐Tzu Lu, Jin‐Ming Chen   +5 more
wiley   +1 more source

Reversible molecular simulation for training classical and machine-learning force fields. [PDF]

Proc Natl Acad Sci U S A
Greener JG.
europepmc   +1 more source

Anisotropic Dynamic Disorder of π‐Stacking and Static Disorder in Organic Electron Transporting Materials with Isomorphic Crystal Structures

Small Structures, EarlyView.
A series of organic electron‐transporting materials having an isomorphic crystal structure with brickwork‐type assemblies consisting of pure face‐to‐face π–π stacking but different π–π stacking distances exhibited strong anisotropic phonon vibrations in two distinct THz frequency ranges.
Chae‐Won Lee, Uros Puc, Jeong Hyeon Lee, Na Young Cho, Jong Bum Lee, Yun‐Sang Lee, Jin Chul Kim, Woojin Yoon, Hoseop Yun, Seokhoon Jang, Youngu Lee, Jong H. Kim, Sang Kyu Kwak, Mojca Jazbinsek, O‐Pil Kwon   +14 more
wiley   +1 more source

An epidemiological knowledge graph extracted from the World Health Organization's Disease Outbreak News. [PDF]

Sci Data
Consoli S, Coletti P, Markov PV, Orfei L, Biazzo I, Schuh L, Stefanovitch N, Bertolini L, Ceresa M, Stilianakis NI.   +9 more
europepmc   +1 more source

RDF Mapper: Easy Conversion of Relational Databases to RDF

Proceedings of the 14th International Conference on Web Information Systems and Technologies, 2018
Lule Ahmedi, Eliot Bytyçi, Granit Gashi
openaire   +2 more sources

Two‐Dimensional Aluminum Boride AlB4 Nanosheets as a Platform to Architecture Very Rare Semiconducting Phase and Superconductor

SusMat, EarlyView.
Very rare semiconducting AlB4 phase was discovered together with several low‐lying allotropes form a new class of multifunctional 2D AlB4 nanomaterials featuring exotic hypercoordinate motifs and fascinating physicochemical properties. ABSTRACT Semiconducting phase is extremely rare and difficult to be realized in two‐dimensional (2D) aluminum borides.
Bingyi Song, Li‐Ming Yang
wiley   +1 more source