Results 91 to 100 of about 21,928 (215)

Relaxor Ferroelectricity Enables Enhanced Thermoelectric Performance in In2Se3‐Alloyed GeTe

Advanced Science, EarlyView.
A non‐equimolar In3+/Se2− alloying strategy creates Ge vacancies in GeTe, inducing relaxor ferroelectricity that broadens the low thermal conductivity window. Simultaneously, cubic phase stabilization broadens optimal electrical transport, achieving an average zT > 1.0 over 330–625 K.
Yuting Zhang, Yang Li, Jianguo Chen, Kai Guo, Jun Luo, Jiye Zhang   +5 more
wiley   +1 more source

Broadband Dielectric Response of Group-II Metal Oxide Monolayers: From Ionic to Electronic Polarization. [PDF]

Micromachines (Basel)
Yin P, Jia D, Tan D, Yang R.
europepmc   +1 more source

A Molten Salt Extraction Method for Palladium Recovery via the CaPd2 Intermetallic Compound

Advanced Science, EarlyView.
A designed Ca → CaPd2 → Pd pathway enables acid–free palladium recovery in molten salt. Calcium alloying forms anionic CaPd2, which is selectively oxidized by iodine from CaI2 to yield high–purity metallic Pd. ABSTRACT To address palladium scarcity and the low efficiency of conventional recovery processes, this work presents a molten–salt extraction ...
Jiapeng Zhang, Dengjie Yan, Muwen Chen, Baoqiang Xu, Bin Yang, Bingyi Song, Lingxin Kong   +6 more
wiley   +1 more source

Engineering halogen-doped carbon dots for enhanced bioinspired synapses toward neuromorphic computing and neural interfaces. [PDF]

Mater Today Bio
Hao H, Lang X, Cao Y, Chen L, Wang M, Ding Z, Peng Y, Sun B, An M, Zhou G, Yang Y.   +10 more
europepmc   +1 more source

Stabilized Cubic GeTe With Matched Grain‐Boundary Networks and Band Convergence for High‐Performance Dual‐Mode Thermoelectric Devices

Advanced Science, EarlyView.
I‐doping stabilizes the cubic phase of GeTe and generates “electron‐transparent, phonon‐blocking” grain boundary networks while inducing valence‐band convergence. This synergistic structural‐electronic design enables effective electron‐phonon decoupling, achieving an exceptional average zTave of ∼1.62, a peak zT of ∼2.2, and enhanced mechanical ...
Xiaobo Tan, Xuri Rao, Huangshui Ma, Jiaxing Luo, Fan Feng, Zijian Lin, Ruiheng Li, Maoji Tian, Siqi Huo, Min Hong, Ran Ang   +10 more
wiley   +1 more source

Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks. [PDF]

ACS Omega
Han DB, Na GS, Kim HW.
europepmc   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Electronegativity and entropy design of layered oxides for sodium-ion batteries. [PDF]

Nat Commun
Gan L, Yao HR, Dai J, Lai Z, Yuan XG, He WH, Zheng QL, Wen M, Yuan WW, Lin M, Xiao JM, Yu Z, Guo YJ, Liu J, Ning F, Zhan F, Chen D, Zheng L, Huang Z, OuYang C, Guo YG.   +20 more
europepmc   +1 more source

Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling

Advanced Science, EarlyView.
An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu, Ziliang Wang, Zherui Chen, Jianchun Sha, Fengzijun Pan, Pingyang Zhang, Yinghe Zhang   +6 more
wiley   +1 more source

Electronic Descriptors Governing Binding Energies of Bidentate Aromatic Ligands with Metal Cations: Insights from DFT and Statistical Analysis. [PDF]

J Phys Chem A
Zhang D, Patel M, Alexopoulos K, Karamalidis AK.   +3 more
europepmc   +1 more source