Results 71 to 80 of about 1,180,755 (291)

Theoretical and experimental investigation of magnetotransport in iron chalcogenides

Science and Technology of Advanced Materials, 2012
We explore the electronic, transport and thermoelectric properties of Fe1+ySexTe1−x compounds to clarify the mechanisms of superconductivity in Fe-based compounds.
Federico Caglieris, Fabio Ricci, Gianrico Lamura, Albert Martinelli, A Palenzona, Ilaria Pallecchi, Alberto Sala, Gianni Profeta and Marina Putti
doaj   +1 more source

X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites

Advanced Functional Materials, EarlyView.
We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim, Gayoung Seo, Seong Yeon Park, Juwon Jang, Yunho Ahn, Samiksha Mukesh Jain, Samrat Das Adhikari, Harumi Correa‐Leiva, Ignacio Utreras‐Asenjo, Oscar A. Douglas‐Gallardo, Carina Pareja‐Rivera, Kayoung Cho, Byeongsung Kim, Jhonatan Rodriguez‐Pereira, Eunseo Choi, JaeHong Park, Jin Ho Bang, Danilo H. Jara‐Quinteros, Sixto Giménez, Seog Joon Yoon, Andrés F. Gualdrón‐Reyes, Iván Mora‐Seró   +21 more
wiley   +1 more source

Predicting electronic structures at any length scale with machine learning

npj Computational Materials, 2023
The properties of electrons in matter are of fundamental importance. They give rise to virtually all material properties and determine the physics at play in objects ranging from semiconductor devices to the interior of giant gas planets.
Lenz Fiedler, Normand A. Modine, Steve Schmerler, Dayton J. Vogel, Gabriel A. Popoola, Aidan P. Thompson, Sivasankaran Rajamanickam, Attila Cangi   +7 more
doaj   +1 more source

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

CO₂@C₈₄: DFT Calculations of Structure and Energetics

Inorganics
Encapsulations of carbon dioxide into D2(22)-C84 and D2d(23)-C84 fullerenes are evaluated. The encapsulation energy is computed with the DFT M06-2X/6-31+G* approach corrected for the basis set superposition error evaluated by the counterpoise method. The
Zdeněk Slanina, Filip Uhlík, Takeshi Akasaka, Xing Lu, Ludwik Adamowicz   +4 more
doaj   +1 more source

Phase Stability in U-6Nb Alloy Doped with Ti from the First Principles Theory

Applied Sciences, 2020
First-principles calculations within the density-functional-theory (DFT) approach are conducted in order to explore and explain the effect of small amounts of titanium on phase stability in the U-6Nb alloy.
Alexander Landa, Per Söderlind, Amanda Wu   +2 more
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

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

Embedded Ferroelectric Nanoclusters Can Drive Polarization Reversal in a Non‐Ferroelectric Polar Film via the Proximity Effect

Advanced Functional Materials, EarlyView.
Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska, Eugene A. Eliseev, Sergei V. Kalinin, Long‐Qing Chen, Dean R. Evans, Venkatraman Gopalan   +5 more
wiley   +1 more source

Ionic Precursors Transformed Into Vinyl Acetate Synthesis Catalyst via Reaction‐Driven Restructuring

Advanced Functional Materials, EarlyView.
This work demonstrates that a simple physical mixture of Pd and Au ionic precursors, KOAc promoter, and SiO2 support can transform into a highly active vinyl acetate synthesis catalyst through reaction‐driven restructuring. The results highlight reaction‐induced restructuring as an innovative and sustainable catalyst design strategy.
Byeong Jun Cha, Welman C. Elias, Hunter P. Jacobs, Kimberly N. Heck, Saghar Rezaie, Sadegh Yazdi, Kiheon Hong, Justin J. Dodson, Laiyuan Chen, Sean G. Mueller, Steven R. Alexander, Michael S. Wong   +11 more
wiley   +1 more source