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128 papers · 1 filter
Dopant-modulated lattice softening drives drastic thermal conductivity reduction in β-FeSi2 thermoelectrics
Cuiping Zhang, Qingyong Ren, Yangfan Cui +15
Suppressing lattice thermal conductivity (K_lat) is pivotal for thermoelectric efficiency. While traditional strategies rely heavily on phonon scattering from mass- and size-mismat…
Unlocking the Power of Orbital-Free Density Functional Theory to Explore the Electronic Structure Under Extreme Conditions
Cheng Ma, Qiang Xu, Zhenhao Zhang +8
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered…
Synthesis of Monolayer Ice on a Hydrophobic Metal Surface
Qiaoxiao Zhao, Meiling Xu, Dong Li +10
Understanding water-metal interactions is central to disciplines spanning catalysis, electrochemistry, and atmospheric science. Monolayer ice phases are well established on hydroph…
Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
Baiqiang Liu, Chenxi Wan, Rui Liu +3
Improving hydrogen storage density is essential for reducing the extreme conditions required in applications such as nuclear fusion. However, the recognition of metallic hydrogen a…
Domain-Wall Mediated Polarization Switching in Ferroelectric AlScN: Strain Relief and Field-Dependent Dynamics
Xiangyu Zheng, Charles Paillard, Dawei Wang +4
While scandium-doped aluminum nitride (AlScN) exhibits robust ferroelectricity and excellent thermal stability, its utility is limited by an exceptionally high coercive field ($E_c…
Coulombic control of charge transfer in luminescent radicals with long-lived quartet states
Lujo Matasovic, Petri Murto, Shilong Yu +13
Excitons in organic materials are emerging as an attractive platform for tunable quantum technologies. Structures with near-degenerate doublet and triplet excitations in linked tri…