Results 191 to 200 of about 93,451 (264)

Synergistic Fluorine and Cyanide Co‐Modification to Reinforce Photoinduced Excitons Formation and Transfer for Efficient CO2 Photoreduction

Advanced Functional Materials, EarlyView.
An advanced F‐doped and ─CN group co‐modified FCCN is developed. Due to the synergistic effects of co‐modification in promoting photogenerated exciton generation, enhancing charge kinetics, expanding active interfacial areas, and optimizing CO2 interfacial reactions, the FCCN photocatalyst demonstrates excellent catalytic performance and high ...
Sheng‐Qi Guo, Qingqing Dong, Xiaodong Sun, Ziqi Zhang, Linda Wang, Lei Bao, Bozhan Li, Hui Li, Yanrui Li, Tianyi Ma   +9 more
wiley   +1 more source

A novel anthocyanins hydroxyethyl cellulose film for intelligent chicken meat packaging with mechanical study, DFT calculations and molecular docking study. [PDF]

Sci Rep
Tohamy HS.
europepmc   +1 more source

Magnetic Isolation of the Linear Trinuclear Anion in [Cu(Him)6] {Cu(Him)4[Cu(μ-EDTA)(Him)]2}·6H2O (1) as the Novel Imidazolium(+) Salt (H2im)2[Cu(Him)4{(µ-EDTA)Cu(Him)}2]·2H2O (2)—A Comparative Look to Their Crystal Structures, Thermal, Spectral and Magnetic Properties and DFT Calculations [PDF]

Jeannette Carolina Belmont-Sánchez, Duane Choquesillo‐Lazarte, Antonio Frontera, Luís Lezama, A. Castiñeiras, J. Niclós‐Gutiérrez   +5 more
openalex   +1 more source

Local Thermal Conductivity Patterning in Rotating Lattice Crystals of Anisotropic Sb2S3

Advanced Functional Materials, EarlyView.
Microscale control of thermal conductivity in Sb2S3 is demonstrated via laser‐induced rotating lattice crystals. Thermal conductivity imaging reveals marked thermal transport anisotropy, with the c axis featuring amorphous‐like transport, whereas in‐plane directions (a, b) exhibit 3.5x and 1.7x larger thermal conductivity.
Eleonora Isotta, Rosemary Wynnychenko, Binayak Mukherjee, Jack Kaman, Hrushikesh Sahasrabuddhe, Jiongzhi Zheng, Anubhav Jain, Geoffroy Hautier, Alexandra Zevalkink, Evan Musterman, Volkmar Dierolf, Himanshu Jain, G. Jeffrey Snyder, Oluwaseyi Balogun   +13 more
wiley   +1 more source

Exploring the Stability and Electronic Properties of Janus TMCSe Monolayers via DFT Calculations. [PDF]

ACS Omega
Campos Ortiz LÁ, Paez Ornelas JI, Alvarado Leal LÁ, Fernández Escamilla HN, Martinez Huerta A, Pérez Tijerina EG, Takeuchi N.   +6 more
europepmc   +1 more source

Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis

Advanced Functional Materials, EarlyView.
An all‐optical method is presented for quantifying the density of boron vacancy spin defects in hexagonal boron nitride (hBN). By correlating Raman and photoluminescence signals with irradiation fluence, defect‐induced Raman modes are identified and established an relationship linking optical signatures to absolute defect densities. This enables direct
Atanu Patra, Paul Konrad, Andreas Sperlich, Timur Biktagirov, Wolf Gero Schmidt, Lesley Spencer, Igor Aharonovich, Sven Höfling, Vladimir Dyakonov   +8 more
wiley   +1 more source

Synthesis and Biological Assessment of Cyanopyridine-Based 1,3,4-Oxadiazole Derivatives: Anticancer Potential, Antioxidant Activity, Molecular Docking, and DFT Calculations. [PDF]

J Biochem Mol Toxicol
Zebbiche Z, Şekerci G, Houssem B, Küçükbay F, Tekin S, Küçükbay H, Boumoud B.   +6 more
europepmc   +1 more source

Emergent Spin‐Glass Behavior in an Iron(II)‐Based Metal–Organic Framework Glass

Advanced Functional Materials, EarlyView.
A one‐pot, solvent‐free synthesis yields an Fe2+‐based metal‐organic framework (MOF) glass featuring a continuous random network structure. The material exhibits spin‐glass freezing at 14 K, driven by topological‐disorder and short‐range magnetic frustration, showcasing the potential of MOF glasses as a plattform for cooperative magnetic phenomena in ...
Chinmoy Das, Soma Salamon, Joachim Landers, Jan‐Benedikt Weiß, Wen‐Long Xue, Pascal Kolodzeiski, Roman Pallach, Heiko Wende, Sebastian Henke   +8 more
wiley   +1 more source

Synthesis, spectroscopic characterization and DFT calculations on [4-(sulfonylazide)phenyl]-1-azide

ARKIVOC, 2008
Abbas Teimouri, Alireza Najafi Chermahini, Mohammad Emami   +2 more
doaj   +1 more source

<i>In Silico</i> Mining of NPACT Database Toward Identification of EBNA1 Inhibitor: Virtual Screening, Molecular Dynamics Simulations, and DFT Calculations. [PDF]

J Trop Med
Ibrahim MAA, Hassan AMA, Abdelrahman AHM, Mekhemer GAH, Sidhom PA, Sayed SRM, Abdelbacki AMM, Hegazy MF.   +7 more
europepmc   +1 more source