Results 181 to 190 of about 31,740 (265)

A Perspective on Interactive Theorem Provers in Physics

Advanced Science, EarlyView.
Into an interactive theorem provers (ITPs), one can write mathematical definitions, theorems and proofs, and the correctness of those results is automatically checked. This perspective goes over the best usage of ITPs within physics and motivates the open‐source community run project PhysLean, the aim of which is to be a library for digitalized physics
Joseph Tooby‐Smith
wiley   +1 more source

Occupancy Statistics and Entropy in Bose Systems. [PDF]

Entropy (Basel)
Spalvieri A.
europepmc   +1 more source

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Cis-Trans Isomerism and Hydride Thermodynamics Govern H2 Activation and Hydrogenation Activity in Indium(III) Pincer Complexes. [PDF]

Inorg Chem
Saha P, Gastelu G, Mena LD, Gyepes R, Uranga JG, Hulla M.   +5 more
europepmc   +1 more source

Atomic Defects in Layered Transition Metal Dichalcogenides for Sustainable Energy Storage and the Intelligent Trends in Data Analytics

Advanced Science, EarlyView.
This review comprehensively summarizes the atomic defects in TMDs for their applications in sustainable energy storage devices, along with the latest progress in ML methodologies for high‐throughput TEM data analysis, offering insights on how ML‐empowered microscopy facilitates bridging structure–property correlation and inspires knowledge for precise ...
Zheng Luo, Ying Yang, Zizhen Fu, Fengqi Liu, Susu Fang, Kele Xu, Shanshan Wang   +6 more
wiley   +1 more source

Direct Z-scheme ZnI₂/GeTe van der Waals heterostructure for photocatalytic overall water splitting. [PDF]

RSC Adv
Kashif M, Shahzad A, -Rehman AU.
europepmc   +1 more source

Atomic Tuning of Metal‐Support Interactions for Pathway‐Selective CO2 Photoreduction on TiO2

Advanced Science, EarlyView.
Single‐atom Fe and Cu catalysts anchored on TiO2 steer photocatalytic CO2 reduction toward distinct pathways. Fe sites favor rapid *CO desorption and selective CO formation, whereas Cu sites stabilize *CHO intermediates, enabling deep reduction and C─C coupling. Combined spectroscopy and DFT calculations reveal how metal–support interactions and oxygen
Dongyun Kim, Wonjae Ko, Byoung‐Hoon Lee, Sanghoon Kim, Yun Do Kim, Hyunsoo Ahn, Yoon Jung, Chan Woo Lee, Kug‐Seung Lee, Eunhee Gong, Junho Lee, Minho Kim, Taeghwan Hyeon, Su‐Il In   +13 more
wiley   +1 more source

Computational Characterization of Ligand Recognition and Inhibition in a 1,4-Dioxane-Degrading Propane Monooxygenase. [PDF]

J Chem Inf Model
Gilron Y, Antunes JMD, Dhakal Gaudel DK, Li M, Zheng W.   +4 more
europepmc   +1 more source

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

Advanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source