Results 111 to 120 of about 259,778 (317)

Giant Magnetic Coercivity Driven by Spin‐Bag Ferromagnetism in Epitaxial Sr3YCo4O10+δ Films with Engineered 2D Oxygen Vacancy Ordering

Advanced Functional Materials, EarlyView.
A giant magnetic coercivity and a vertical shift of hysteresis loops are demonstrated in Sr3YCo4O10+δ epitaxial films. The hard magnetic behavior originates from ferromagnetic spin bags stabilized within a long‐range ordered oxygen‐vacancy structure.
Yanbin Chen, Roger Guzman, Xiaomin Jia, Jialu Wu, Xing Xu, Li Sun, Jinbo Pan, Shixuan Du, Myung‐Hwan Whangbo, Wu Zhou, Jing Ma, Ce‐wen Nan, Chonglin Chen   +12 more
wiley   +1 more source

DFT-Assisted Solid-State NMR Characterization of Defects in Li₂MnO₃ [PDF]

, 2019
The complete description of defective structures and their impact on materials behavior is a great challenge due to difficulties associated with their reliable characterization in the nanoscale.
Juan Miguel Lopez del Amo, Amaia Saracibar, Dany Carlier, Montse Casas-Cabanas (1618408), Dany Carlier (1665955), Juan Miguel Lopez del Amo (1788007), Montse Casas-Cabanas, Jon Serrano-Sevillano, Amaia Saracibar (6842495), Jon Serrano-Sevillano (4779327)   +9 more
core   +1 more source

Fast, Accurate Enthalpy Differences in Spin Crossover Crystals from DFT+U [PDF]

, 2020
Spin crossover materials are bi-stable systems with potential applications as molecular scale electronic switches, actuators, thermometers, barometers and displays.
Miriam, Ohlrich, Ben, Powell
core   +1 more source

Unraveling the Antioxidant Potential of Tectochrysin: A Quantum Chemical Approach to Radical Scavenging Mechanisms

Cumhuriyet Science Journal
In this study, we conducted a comprehensive quantum chemical investigation to elucidate the antioxidant mechanisms of tectochrysin via hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton loss
Dilara Özbakır Işın, Şaban Erdoğan
doaj   +1 more source

Optical Signature of Moiré Superlattices Formed by Twisted SrTiO3 Membranes

Advanced Functional Materials, EarlyView.
We discover optical signatures from bonded interfaces in twisted SrTiO3 moiré superlattices, including low‐frequency Raman vibrational modes and strong second‐harmonic generation, consistent with strong interlayer coupling inferred from cross‐sectional electron microscopy and ab initio calculations. ABSTRACT Moiré superlattices formed at the interfaces
T. A. M. Ragib Shahriar, Fumikazu Murakami, Xing He, Konnor Koons, Xinyan Li, Bumseop Kim, Shihan Qin, Varun Harbola, Jochen Mannhart, Yimo Han, Ruijuan Xu, Shengxi Huang, Andrew M. Rappe, Hanyu Zhu   +13 more
wiley   +1 more source

Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate

Acta Crystallographica Section E: Crystallographic Communications
In the title compound, C25H17NO3, the torsion angle associated with the phenyl benzoate group is −173.7 (2)° and that for the benzyloxy group is −174.8 (2)° establishing an anti-type conformation.
Mahadevaiah Harish Kumar, Shivakumar Santhosh Kumar, Hirehalli Chikkegowda Devarajegowda, Hosapalya Thimmaiah Srinivasa, Bandrehalli Siddagangaiah Palakshamurthy   +4 more
doaj   +1 more source

Electrospun Wood‐Derived Biopolymers as Electrodes in Electrochemical Energy Storage Technologies

Advanced Functional Materials, EarlyView.
Electrospinning transforms wood‐derived cellulose and lignin into architecturally defined, binder‐free carbon electrodes with tuneable porosity and functionality. This review shows how fibre design enables decoupled charge and mass transport, enhancing performance across battery systems, while identifying key challenges in spinnability, scalability ...
Michael W. Thielke, Hattie R. Chisnall, Jesus Vazquez Chavez, Ana B. Jorge Sobrido   +3 more
wiley   +1 more source

Structural and Mechanical Properties of Orthorhombic Libeh3: AB-Initio Study

Annals of West University of Timisoara: Physics
The structural parameters and the elastic properties of orthorhombic LiBeH3 material were predicted theoretically using the density functional theory (DFT).
Rahrah M., Lebga N., Latreche A., Daoud S., Benmakhlouf A.   +4 more
doaj   +1 more source

In Vitro and In Silico Antioxidant Activity of Novel Peptides Prepared from Paeonia Ostii ‘Feng Dan’ Hydrolysate

Antioxidants, 2019
Antioxidant peptides derived from natural products have superior performance and broader application prospects. In this study, five novel antioxidant peptides were prepared from Paeonia ostii (P.
Min Wang, Cong Li, Haoyu Li, Zibo Wu, Bang Chen, Yibo Lei, Yehua Shen   +6 more
doaj   +1 more source

Indolo‐Fused MR‐TADF Materials and their Application in Organelle‐Targeted Bioimaging

Advanced Functional Materials, EarlyView.
Using indolo‐fusion and sulfur bridging, four multi‐resonance thermally activated delayed fluorescent (MR‐TADF) materials are reported based on the quinolino[3,2,1‐de]acridine‐5,9‐dione (QAO) framework. Functionalization of these dyes with phosphonium groups enables cellular imaging with mitochondrial targeting in glassy organic nanoparticles ...
Sushil Sharma, Xujun Qiu, Thomas Kalab, Athan T. Gogoulis, Brian O. Patrick, Zachary M. Hudson   +5 more
wiley   +1 more source