Results 81 to 90 of about 51,825 (244)

Synergistic Interplay of Acceptor and Isovalent Co‐Doping on BaZrO3‐Based Proton Conducting Oxides: A First‐Principles Study

Advanced Science, EarlyView.
Acceptor and isovalent co‐doping effects on hydration in BaZrO3 proton conductors are systematically investigated using first‐principles calculations. Acceptors enhance hydration by modulating oxygen vacancy formation, whereas isovalent dopants enhance hydration by stabilizing protons via increased A‐site cation–proton distances.
Yonghun Shin, Kyung‐Yeon Doh, June Ho Lee, Shin Hyun Kim, Donghwa Lee   +4 more
wiley   +1 more source

Polymorphic Superparaelectric Engineering Boosting Energy Storage Capacity in BaTiO3‐Based Ceramics

Advanced Science, EarlyView.
Herein, Ca2+ incorporation promotes the coexistence of CaTiO3‐/BaTiO3‐derived paraferroelectric states, stabilizing cubic‐orthorhombic‐tetragonal polymorphic superparaelectric phases. This minimizes polarization energy barriers, facilitating full polarization saturation without compromising efficiency.
Pan Liu, Xiang Ren, Jin Qian, Haihua Huang, Peng Li, Peng Fu, Jigong Hao, Huarong Zeng, Wei Li, Zhenxiang Cheng   +9 more
wiley   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Engineering of Crystal and Domain Structures in Epitaxial Y:HfO2 Thin Films by YSZ Substrate Miscut

Advanced Science, EarlyView.
We investigate how YSZ substrate miscut influences crystal structure and domain formation in epitaxial Y‐doped HfO2 thin films. Using magnetron sputtering, high‐resolution X‐ray diffraction, atomic‐resolution scanning transmission electron microscopy, and first‐principles calculations, we systematically examine the characteristics of thickness‐ and ...
Jun Young Lee, Hyung‐Jin Choi, Kun Hee Ye, Haneul Choi, Byeong‐hyeon Lee, Min‐Seok Kim, Dong‐Hun Han, June Hyuk Lee, Sung Ok Won, Tae Heon Kim, Hye Jung Chang, Jung‐Hae Choi, Seung‐Hyub Baek   +12 more
wiley   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

Advanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu, Linggang Zhu, Jian Zhou, Zhimei Sun   +3 more
wiley   +1 more source

Diverse Landscape of Tunable Magnetic, Topological, and Ferroelectric States in 2D Ti3Se3Te2

Advanced Science, EarlyView.
Ti3Se3Te2 emerges as a multifunctional 2D van der Waals platform. The monolayer is a dynamically stable ferromagnetic quantum anomalous Hall insulator. In bilayers, two stacking configurations yield distinct phases: AA‐stacking hosts an altermagnetic quantum spin Hall insulator, while AA′‐stacking exhibits three‐state in‐plane ferroelectricity ...
Jiangtao Yu, Jingbo Bai, Yali Yang, Shifeng Qian, Xiaotian Wang, Zhuhong Liu   +5 more
wiley   +1 more source

Enhanced Energy Transfer from a Metal–Organic Framework to a Highly Confined Organic Phosphorescent Dye

Advanced Science, EarlyView.
A phosphorescent dye was designed to fit in a hand‐to‐glove fashion into the 1D‐pore channels of MIL‐68(In). We synthesized MIL‐68(In) as powder and thin films, loaded the dye into the pores with controlled packing, and found that the phosphorescence and quantum yield are enhanced.
Bahram Hosseini Monjezi, Thomas Kasper, Gloria Hong, Changfeng Si, Robert Oestreich, Oliver Weingart, Peter G. Weidler, Christof Wöll, Eli Zysman‐Colman, Christoph Janiak, Stefan Bräse, Klaus Müller‐Buschbaum, Alexander Knebel   +12 more
wiley   +1 more source

Manipulating Atomic Disorder and Mesoscale Architectures for High‐Efficiency Thermoelectric Modules

Advanced Science, EarlyView.
The in situ reaction of PbTiO3 precursor reacts in situ with the Bi0.5Sb1.5Te3 matrix, effectively enlarging the energy barrier for minority carrier excitation and suppressing bipolar diffusion, and predominantly scattering mid‐to‐low frequency phonons. Ultimately, a single thermoelectric module was fabricated to achieve a competitive efficiency of ∼7%
Jiwu Xin, Bo Wang, Chengyun Xu, Wang Li, Pengyu Zhang, Dongwang Yang, Yongke Wang, Jinfeng Dong, Lei Wei, Ting Zhang, Qinghui Jiang   +10 more
wiley   +1 more source

Interlayer‐Sliding‐Enabled Multiferroicity and Giant Switchable Anomalous Hall Conductivity in RuO2Zn2F2 Bilayer

Advanced Science, EarlyView.
Interlayer sliding in the RuO2Zn2F2 bilayer induces ferroelectricity and enables reversible valley polarization switching. The electric dipole and valley‐resolved band edges are intimately coupled, revealing sliding ferroelectricity as a powerful mechanism for electrical control of valley degrees of freedom in 2D materials.
Djamel Bezzerga, Imran Khan, Ganie Suhail Ahmad, Jisang Hong   +3 more
wiley   +1 more source

Electride‐Induced Electronic Modulation of Ruthenium Catalyst for Highly Efficient Alkaline Hydrogen Evolution

Advanced Science, EarlyView.
Electrides offer unique opportunities as catalyst supports for hydrogen evolution reactions. This study presents an electride‐supported Ru/Nd2ScSi2 catalyst exhibiting outstanding hydrogen evolution reaction performance and excellent stability. Anionic Ru species on the electride surface facilitate water dissociation and optimize hydrogen adsorption ...
Zhiqi Wang, Jianan Su, Cheng Li, Yutong Gong, Hideo Hosono, Junjie Wang   +5 more
wiley   +1 more source