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We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our predictions of heat and charge conductivity, which extend to…

材料科学 · 物理学 2019-04-03 Thomas A. Mellan , Alex Aziz , Yi Xia , Ricardo Grau-Crespo , Andrew I. Duff

The use of nanoplasmonics to control light and heat close to the thermodynamic limit enables exciting opportunities in the field of plasmonic catalysis. The decay of plasmonic excitations creates highly nonequilibrium distributions of hot…

Alloyed metal nanoparticles are a promising platform for plasmonically enabled hot-carrier generation, which can be used to drive photochemical reactions. Although the non-plasmonic component in these systems has been investigated for its…

介观与纳米尺度物理 · 物理学 2024-08-15 Jakub Fojt , Tuomas P. Rossi , Priyank V. Kumar , Paul Erhart

The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To identify promising NASICONs containing earth-abundant…

材料科学 · 物理学 2026-05-26 Santosh Behara , Achinthya Krishna Bheemaguli , Gopalakrishnan Sai Gautam

Plasmonic nanoheaters are reported that produce a significant local heating when excited by a 532 nm wavelength focussed laser beam. A significant temperature increase derives from the strong confinement of electric field enabled by the…

Modeling light-matter interaction in hybrid plasmonic materials is vital to their widening relevance from optoelectronics to photocatalysis. Here, we explore photoluminescence from ZnO nanorods (ZNR) embedded with gold nanoparticles (Au…

材料科学 · 物理学 2023-07-21 Kritika Sharu , Shashwata Chattopadhyay , K. N. Prajapati , J. Mitra

Polycrystalline solid-state ionic conductors (PolySSICs) are key energy materials for all-solid-state Li-ion batteries (LIBs). However, achieving room-temperature ionic conductivity comparable to that of liquid electrolytes ($\sigma \sim…

We highlight a new metal-molecule charge transfer process by tuning the Fermi energy of plasmonic silver nanoparticles (AgNPs) in-situ. The strong adsorption of halide ions upshifts the Fermi level of AgNPs by up to ~0.3 eV in the order:…

In band-like semiconductors, charge carriers form a thermal energy distribution rapidly after optical excitation. In hybrid lead halide perovskites, the cooling of such thermal carrier distributions occurs on timescales of ~300 fs via…

The behavior of hot carriers in metal-halide perovskites (MHPs) present a valuable foundation for understanding the details of carrier-phonon coupling in the materials as well as the prospective development of highly efficient hot carrier…

High performance thermoelectric devices requires materials with low lattice thermal conductivities. Many strategies, such as phonon engineering, have been made to reduce lattice thermal conductivity without simultaneously decrease of the…

材料科学 · 物理学 2020-01-07 Xiaoxia Yu , Hezhu Shao , Xueyun Wang , Yingcai Zhu , Daining Fang , Jiawang Hong

The relaxation dynamics of hot carriers in silicon (100) is studied via a novel holistic approach based on phase-resolved transient absorption spectroscopy with few-cycle optical pulses. After excitation by a sub-5 fs light pulse, strong…

材料科学 · 物理学 2021-07-21 Martin Wörle , Alexander W. Holleitner , Reinhard Kienberger , Hristo Iglev

Discovering new materials with ultrahigh thermal conductivity has been a critical research frontier and driven by many important technological applications ranging from thermal management to energy science. Here we have rigorously…

材料科学 · 物理学 2021-04-19 Huan Wu , Hang Fan , Yongjie Hu

GaN is a key material for lighting technology. Yet, the carrier transport and ultrafast dynamics that are central in GaN light emitting devices are not completely understood. We present first-principles calculations of carrier dynamics in…

材料科学 · 物理学 2017-10-11 Vatsal A. Jhalani , Jin-Jian Zhou , Marco Bernardi

This work, presents a study of lifetime of carriers due to intrinsic scattering mechanisms $viz.$ electron-electron (EEI), electron-phonon (EPI) and phonon-phonon interactions (PPI) in a promising half-Heusler thermoelectric FeVSb. Using…

强关联电子 · 物理学 2021-01-26 Shivprasad S. Shastri , Sudhir K. Pandey

Light absorption and scattering of plasmonic metal nanoparticles can lead to non-equilibrium charge carriers, intense electromagnetic near-fields, and heat generation, with promising applications in a vast range of fields, from chemical and…

光学 · 物理学 2020-08-27 Guillaume Baffou , Ivan Bordacchini , Andrea Baldi , Romain Quidant

We present a new overview of the life of very massive stars (VMS) in terms of neutrino emission from thermal processes: pair annihilation, plasmon decay, photoneutrino process, bremsstrahlung and recombination processes in burning stages of…

高能天体物理现象 · 物理学 2021-03-31 N. Yusof , H. A. Kassim , L. G. Garba , N. S. Ahmad

Phonon interactions from lattice anharmonicity govern thermal properties and heat transport in materials. These interactions are described by n-th order interatomic force constants (n-IFCs), which can be viewed as high-dimensional tensors…

材料科学 · 物理学 2025-08-12 Yao Luo , Dhruv Mangtani , Shiyu Peng , Jia Yao , Sergei Kliavinek , Marco Bernardi

Using ultrafast optical pump-probe spectroscopy, we study the relaxation dynamics of hot optical phonons in few-layer and multi-layer graphene films grown by epitaxy on silicon carbide substrates and by chemical vapor deposition on nickel…

Lattice thermal conductivities (LTC) for a subset of polymer crystals from the Polymer Genome Library were investigated to explore high LTC polymer systems. We employed a first-principles approach to evaluating phonon lifetimes within the…

材料科学 · 物理学 2020-08-21 Keishu Utimula , Tom Ichibha , Ryo Maezono , Kenta Hongo