Results 71 to 80 of about 89,902 (264)

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

Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical Shifts and X-ray Diffraction Methods

Molecules, 2017
The exact knowledge of hydrogen atomic positions of O–H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry.
Michael G. Siskos, M. Iqbal Choudhary, Ioannis P. Gerothanassis   +2 more
doaj   +1 more source

Correlated Metal LaNiO3 as a p‐Type Transparent Conductor

Advanced Functional Materials, EarlyView.
p‐type transparent conducting oxides are needed to enable superstrate solar cell geometries with n‐type absorbers. The p‐type correlated metal LaNiO3 combines high optical transmission with low electrical resistivity and is compatible with a range of scalable deposition processes.
Shivang Beniwal, Emmeline G. Poole, Jacob Plowman, Troy D. Manning, Teresa Partida Manzanera, Kevin Sanderson, Matthew S. Dyer, Matthew J. Rosseinsky, Jonathan Alaria   +8 more
wiley   +1 more source

Generalization of graph-based active learning relaxation strategies across materials

Machine Learning: Science and Technology
Although density functional theory (DFT) has aided in accelerating the discovery of new materials, such calculations are computationally expensive, especially for high-throughput efforts. This has prompted an explosion in exploration of machine learning (
Xiaoxiao Wang, Joseph Musielewicz, Richard Tran, Sudheesh Kumar Ethirajan, Xiaoyan Fu, Hilda Mera, John R Kitchin, Rachel C Kurchin, Zachary W Ulissi   +8 more
doaj   +1 more source

Interface Engineering via Sb2Te3 Deposition Enables High‐Performance SWCNT Film Thermoelectrics

Advanced Functional Materials, EarlyView.
SWCNTs are promising for flexible thermoelectrics but suffer from low performance. Here, cold‐pressed SWCNT films combined with deposited Sb2Te3 form engineered interfaces that enhance charge transport and energy filtering. The composite achieves a high power factor (25.82 µW cm−1 K−2) and delivers a power density of 3 mW cm−2 at ΔT = 40 K, with ...
Yuan‐Meng Liu, Xiao‐Lei Shi, Ziyu Wang, Muyang Huang, Meng Li, Xiaolong Sun, Yong Liu, Shanshan Zhou, Yi Zhao, Yineng Gou, Yue Hou, Zhi‐Gang Chen   +11 more
wiley   +1 more source

Graphene Quantum Dot‐Induced Microstrain for Framework Stabilization of High‐Entropy Prussian Blue Analog in High‐Current Alkaline Hydrogen Evolution Reaction

Advanced Functional Materials, EarlyView.
The intrinsic distortion‐rich lattice of HEPBA with GQD‐enabled microstrain engineering establishes a mechanistic route toward high‐performance alkaline hydrogen evolution reaction. HEPBA inherently feature heterogeneous local coordination environments arising from multimetal incorporation, while properly introducing GQD during coprecipitation ...
Mia Rinawati, Yu‐Ru Liu, Wei‐Hsiang Huang, Kuan‐Yu Lin, Ching‐Ju Ho, Ling‐Yu Chang, Karel Roubik, Ni Luh Wulan Septiani, Ahmad Nuruddin, Wei‐Nien Su, Min‐Hsin Yeh   +10 more
wiley   +1 more source

Ising Superconductivity and Magnetism in NbSe_{2}

Physical Review X, 2020
Recent studies on superconductivity in NbSe_{2} have demonstrated a large anisotropy in the superconducting critical field when the material is reduced to a single monolayer.
Darshana Wickramaratne, Sergii Khmelevskyi, Daniel F. Agterberg, I. I. Mazin   +3 more
doaj   +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

Synthesis, Characterisation and DFT Calculations of Azo-Imine Dyes

Journal of the Turkish Chemical Society, Section A: Chemistry, 2017
In this study, azo dyes containing an imine group were synthesised by coupling p-hydroxybenzylidene aniline with the diazonium salts of p-toluidine, 4-aminophenol, aniline, p-chloroaniline, p-fluoroaniline, and p-nitroaniline.
Sevil Özkınalı, Muhammet Serdar Çavuş, Büşra Umur Sakin   +2 more
doaj   +1 more source

Extraordinary n‐type Tellurium‐Free Thermoelectric Performance of Y‐Doped BiSe via Synergistic Effect of Vacancies and Band Engineering

Advanced Functional Materials, EarlyView.
Yttrium doping in Sb‐alloyed BiSe synergistically induces Bi vacancies and flattens conduction bands, simultaneously slashing lattice thermal conductivity by 50% and boosting the power factor. The optimized n‐type Bi0.64Sb0.3Y0.06Se delivers a peak zT of 0.91 at 393 K (average zT 0.76, 300–523 K) and an 8‐pair module with 4.6% conversion efficiency ...
Wenhao Xie, Fang Lyu, Xiaolong Sun, Chang Li, Xiaolu Zhu, Liangwei Hu, Qianfeng Ding, Wenjie Zhou, Muyang Huang, Yineng Gou, Yi Zhao, Han Tang, Wei Cao, Yue Hou, Yun Zheng, Ady Suwardi, Ziyu Wang   +16 more
wiley   +1 more source