Results 221 to 230 of about 35,918 (305)

Comment on "Insight into the interaction between tannin acid and bovine serum albumin from a spectroscopic and molecular docking perspective" by W. Xu, Y. Ning, S. Cao, G. Wu, H. Sun, L. Chai, S. Wu, J. Li and D. Luo, <i>RSC Adv.</i>, 2023, <b>13</b>, 10592. [PDF]

RSC Adv
Kang J.
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

Discreteness, Computation, and Rules of Life for Self-Organization Dynamics Beyond Equilibrium. [PDF]

Newton
Youk H.
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

Design of a Cylindrical Thermal Rotary Concentrator Based on Transformation Thermodynamics. [PDF]

Materials (Basel)
Xia G, He X, Jia Y, Zhu Y, Tian Z.
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

Thermodynamic Principles Behind Mechanisms and Reactivities: Hydrogen Atom Abstraction and Related Radical Reactions. [PDF]

Acc Chem Res
Srnec M, Bím D, Maldonado-Domínguez M, Wojdyla Z, Fučík R.   +4 more
europepmc   +1 more source

Polar Lattice‐Distorted Motifs Enable Synergy of Local Polarization/Dipole Fields for Concurrent Glyphosate Wastewater Remediation and CO Evolution

Advanced Science, EarlyView.
Photocatalytic treatment of glyphosate herbicide in agricultural wastewater is achieved through the cooperative effect of the local polarization field and dipole field mediated by lattice‐distorted carbon nitride. Glyphosate is completely degraded via selective C─P bond cleavage with a CO evolution rate of 1166 µmol g−1 h−1.
Daoping Chen, Huan Liu, Tengyu Liu, Jie Li, Qizhi Luo, Yan Zhang, Shengkun Li, Hu Li   +7 more
wiley   +1 more source

Proton, Electron, and Hydrogen-Atom Transfer Thermodynamics of the Metal-Organic Framework, Ti-MIL-125, Are Intrinsically Correlated to the Structural Disorder. [PDF]

J Am Chem Soc
Altınçekiç NG, Lander CW, Yu J, Roslend A, Shao Y, Noh H.   +5 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