493 citations · 2.6k across the 22 of their papers we have counts for
22 papers
The Energy Efficiency of Interfacial Solar Desalination: Insights from Detailed Theoretical Analysis
Xiao Luo, Jincheng Shi, Changying Zhao +3
Solar-thermal evaporation, a traditional steam generation method for solar desalination, has received numerous attentions in recent years due to the significant increase in efficie…
Anomalous thermal transport in metallic transition-metal nitrides originated from strong electron-phonon interactions
Shouhang Li, Ao Wang, Yue Hu +3
Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found meta…
Seeking for low thermal conductivity atomic configurations in alloys with Bayesian Optimization
Jiahao Yan, Han Wei, Han Xie +2
The emergence of data-driven science has opened up new avenues for understanding the thermophysical properties of materials. For decades, alloys are known to possess very low therm…
Thermal conductivity of intrinsic semiconductor at elevated temperature: role of four-phonon scattering and electronic heat conduction
Xiaokun Gu, Shouhang Li, Hua Bao
While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity…
A Unified Phonon Interpretation for the Non-Fourier Heat Conduction by Non-equilibrium Molecular Dynamics Simulations
Yue Hu, Xiaokun Gu, Tianli Feng +2
Nanoconfinement induces many intriguing non-Fourier heat conduction phenomena that have been extensively studied in recent years, such as the nonlinear temperature profile inside t…
A minimal Tersoff potential for diamond silicon with improved descriptions of elastic and phonon transport properties
Zheyong Fan, Yanzhou Wang, Xiaokun Gu +3
Silicon is an important material and many empirical interatomic potentials have been developed for atomistic simulations of it. Among them, the Tersoff potential and its variants a…
A revisit to phonon-phonon scattering in single-layer graphene
Xiaokun Gu, Zheyong Fan, Hua Bao +1
Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) b…
A relaxation time model for efficient and accurate prediction of lattice thermal conductivity
Han Xie, Xiaokun Gu, Hua Bao
Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art met…
Anisotropic Thermal Transport in Phase-Transition Layered 2D Alloys WSe2(1-x)Te2x
Xin Qian, Puqing Jiang, Peng Yu +3
Transition metal dichalcogenide (TMD) alloys have attracted great interests in recent years due to their tunable electronic properties, especially the semiconductor-metal phase tra…
Effect of the accuracy of interatomic force constants on the prediction of lattice thermal conductivity
Han Xie, Xiaokun Gu, Hua Bao
Solving Peierls-Boltzmann transport equation with interatomic force constants (IFCs) from first-principles calculations has been a widely used method for predicting lattice thermal…
Phononic thermal properties of two-dimensional materials
Xiaokun Gu, Yujie Wei, Xiaobo Yin +2
Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applicatio…
Temperature dependence of anisotropic thermal conductivity tensor of bulk black phosphorus
Bo Sun, Xiaokun Gu, Qingsheng Zeng +5
To date, the intrinsic thermal conductivity tensor of bulk black phosphorus (BP), an important 2D material, is still unknown, since recent studies focus on BP flakes not on bulk BP…
Measurement Techniques for Thermal Conductivity and Interfacial Thermal Conductance of Bulk and Thin Film Materials
Dongliang Zhao, Xin Qian, Xiaokun Gu +2
Thermal conductivity and interfacial thermal conductance play crucial roles in the design of engineering systems where temperature and thermal stress are of concerns. To date, a va…
Phonon transport in single-layer Mo1-xWxS2 alloy embedded with WS2 nanodomains
Xiaokun Gu, Ronggui Yang
Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, opto…
Lattice Thermal Conductivity of Organic-Inorganic Hybrid Perovskite CH3NH3PbI3
Xin Qian, Xiaokun Gu, Ronggui Yang
Great success has been achieved in improving the photovoltaic energy conversion efficiency of the organic-inorganic perovskite-based solar cells, but with very limited knowledge on…
Layer thickness-dependent phonon properties and thermal conductivity of MoS2
Xiaokun Gu, Baowen Li, Ronggui Yang
For conventional materials, the thermal conductivity of thin film is usually suppressed when the thickness decreases due to phonon-boundary scattering. However, this is not necessa…
Revealing the Anisotropic Thermal Conductivity of Black Phosphorus using the Time-Resolved Magneto-Optical Kerr Effect
Jie Zhu, Haechan Park, Jun-Yang Chen +11
Black phosphorus (BP) has emerged as a direct-bandgap semiconducting material with great application potentials in electronics, photonics, and energy conversion. Experimental chara…
Phonon transport and thermal conductivity in two-dimensional materials
Xiaokun Gu, Ronggui Yang
Two-dimensional materials, such as graphene, boron nitride and transition metal dichalcogenides, have attracted increased interest due to their potential applications in electronic…
Phonon transmission across Mg2Si/Mg2Si1-xSnx interfaces: A first-principles-based atomistic Green's function study
Xiaokun Gu, Xiaobo Li, Ronggui Yang
Phonon transmission across interfaces of dissimilar materials has been studied intensively in the recent years by using atomistic simulation tools owing to its importance in determ…
Phonon Transport in Single-Layer Transition Metal Dichalcogenides: a First-Principles Study
Xiaokun Gu, Ronggui Yang
Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically…
A new regime of nanoscale thermal transport: collective diffusion counteracts dissipation inefficiency
Kathleen M. Hoogeboom-Pot, Jorge N. Hernandez-Charpak, Erik H. Anderson +5
Understanding thermal transport from nanoscale heat sources is important for a fundamental description of energy flow in materials, as well as for many technological applications i…
First-Principles Prediction of Phononic Thermal Conductivity of Silicene: a Comparison with Graphene
Xiaokun Gu, Ronggui Yang
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphe…