788 citations · 3.4k across the 34 of their papers we have counts for
34 papers
Predictions and Measurements of Thermal Conductivity of Ceramic Materials at High Temperature
Zherui Han, Zixin Xiong, William T. Riffe +8
The lattice thermal conductivity () of two ceramic materials, cerium dioxide (CeO) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon…
Is Thermal Conductivity of Graphene Divergent and Higher Than Diamond?
Zherui Han, Xiulin Ruan
The thermal conductivity of monolayer graphene is an outstanding challenge with no consensus reached on its exact value and length convergence so far. We consider four-phonon scatt…
Temperature-Dependent Full Spectrum Optical Responses of Semiconductors from First Principles
Zherui Han, Changkyun Lee, Jiawei Song +3
From ultraviolet to mid-infrared region, light-matter interaction mechanisms in semiconductors progressively shift from electronic transitions to phononic resonances and are affect…
Effects of hot phonons and thermal stress in micro-Raman spectra of molybdenum disulphide
Peter Sokalski, Zherui Han, Gabriella Coloyan Fleming +5
Micro-Raman spectroscopy has become an important tool in probing thermophysical behavior in emerging functional materials such as two-dimensional (2D) layered structures. Localized…
Prediction of Hot Zone-center Optical Phonons in Laser Irradiated Molybdenum Disulfide with a Semiconductor Multitemperature Model
Zherui Han, Peter Sokalski, Li Shi +1
Previous multitemperature model (MTM) resolving phonon temperatures at the polarization level and measurements have uncovered remarkable nonequilibrium among different phonon polar…
Raman Linewidth Contributions from Four-Phonon and Electron-Phonon Interactions in Graphene
Zherui Han, Xiaolong Yang, Sean E. Sullivan +4
The Raman peak position and linewidth provide insight into phonon anharmonicity and electron-phonon interactions (EPI) in materials. For monolayer graphene, prior first-principles…
FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
Zherui Han, Xiaolong Yang, Wu Li +2
FourPhonon is a computational package that can calculate four-phonon scattering rates in crystals. It is built within ShengBTE framework, which is a well-recognized lattice thermal…
Atomistic metrics of BaSO as an ultra-efficient radiative cooling material: a first-principles prediction
Zhen Tong, Joseph Peoples, Xiangyu Li +3
Radiative cooling has recently revived due to its significant potential as an environmentally friendly cooling technology. However, the design of particle-matrix cooling nanocompos…
An iterative machine learning approach for discovering unexpected thermal conductivity enhancement in aperiodic superlattices
Prabudhya Roy Chowdhury, Xiulin Ruan
While machine learning (ML) has shown increasing effectiveness in optimizing materials properties under known physics, its application in challenging conventional wisdom and discov…
Remarkable Daytime Sub-ambient Radiative Cooling in BaSO4 Nanoparticle Films and Paints
Xiangyu Li, Joseph Peoples, Peiyan Yao +1
Radiative cooling is a passive cooling technology that offers great promises to reduce space cooling cost, combat the urban island effect and alleviate the global warming. To achie…
Concentrated Radiative Cooling
Joseph Peoples, Yu-Wei Hung, Xiangyu Li +6
A fundamental limit of current radiative cooling systems is that only the top surface facing deep-space can provide the radiative cooling effect, while the bottom surface cannot. H…
Full Daytime Sub-ambient Radiative Cooling with High Figure of Merit in Commercial-like Paints
Xiangyu Li, Joseph Peoples, Zhifeng Huang +3
Radiative cooling is a passive cooling technology by reflecting sunlight and emitting radiation in the atmospheric sky window. Although highly desired, full daytime sub-ambient rad…
The use of strain and grain boundaries to tailor phonon transport properties: A first principles study of 2H-phase (Part II)
Evan Witkoske, Zhen Tong, Yining Feng +3
Transparent oxide materials, such as , a p-type transparent conducting oxide (TCO), have recently been studied for high temperature thermoelectric power generators and c…
Four-phonon scattering diminishes the optical phonon contribution and isotope effect to thermal conductivity of III-V semiconductors
Xiaolong Yang, Tianli Feng, Ju Li +1
Recent studies reveal that four-phonon scattering is generally important in determining thermal conductivities of solids. However, these studies have been focused on materials wher…
Role of higher-order phonon scattering in the zone-center optical phonon linewidth and the Lorenz oscillator model
Xiaolong Yang, Tianli Feng, Joon Sang Kang +3
Zone-center optical phonon linewidth is a key parameter for infrared and Raman spectra as well as the Lorenz oscillator model. While three-phonon scattering was often assumed to be…
Thermal boundary resistance predictions with non-equilibrium Green's function and molecular dynamics simulations
Yuanchen Chu, Jingjing Shi, Kai Miao +6
The non-equilibrium Green's function (NEGF) method with Büttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with mo…
A comprehensive first-principles analysis of phonon thermal conductivity and electron-phonon coupling in different metals
Zhen Tong, Shouhang Li, Xiulin Ruan +1
Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many app…
Dramatic increase in the thermal boundary conductance and radiation limit from a Nonequilibrium Landauer Approach
Jingjing Shi, Xiaolong Yang, Timothy S. Fisher +1
Thermal boundary conductance (TBC) is critical in many thermal and energy applications. A decades-old puzzle has been that many of the measured TBCs, such as those well characteriz…
Phonon anharmonic frequency shift induced by four-phonon scattering calculated from first principles
Tianli Feng, Xiaolong Yang, Xiulin Ruan
Phonon energies at finite temperatures shift away from their harmonic values due to anharmonicity. In this paper, we have realized the rigorous calculation of phonon energy shifts…
Spectral analysis of non-equilibrium molecular dynamics: spectral phonon temperature and phonon local non-equilibrium in thin films and across interfaces
Tianli Feng, Wenjun Yao, Zuyuan Wang +4
Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation o…
Compressive mechanical response of graphene foams and their thermal resistance with copper interfaces
Wonjun Park, Xiangyu Li, Nirajan Mandal +2
We report compressive mechanical response of graphene foams (GFs) and the thermal resistance () between copper (Cu) and GFs, where GFs were prepared by the chemical vapor…
Optical generation and detection of local non-equilibrium phonons in suspended graphene
Sean Sullivan, Ajit Vallabhaneni, Iskandar Kholmanov +3
The measured frequencies and intensities of different first- and second- order Raman peaks of suspended graphene are used to show that optical phonons and different acoustic phonon…
Uncertainty quantification of thermal conductivities from equilibrium molecular dynamics simulations
Zuyuan Wang, Salar Safarkhani, Guang Lin +1
Equilibrium molecular dynamics (EMD) simulations along with the Green-Kubo formula have been widely used to calculate lattice thermal conductivities. Previous studies, however, foc…
Thermal Transport at the Nanoscale - A Fourier's Law vs. Phonon Boltzmann Equation Study
Jan Kaiser, Tianli Feng, Jesse Maassen +3
Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no in…