426 citations · 1.5k across the 30 of their papers we have counts for
30 papers
Janus-graphene: a two-dimensional half-auxetic carbon allotropes with non-chemical Janus configuration
Linfeng Yu, Jianhua Xu, Chen Shen +5
The asymmetric properties of Janus two-dimensional materials commonly depend on chemical effects, such as different atoms, elements, material types, etc. Herein, based on carbon ge…
Superfolded configuration induced low thermal conductivity in two-dimensional carbon allotropes revealed via machine learning force constant potential
Linfeng Yu, Kexin Dong, Qi Yang +5
Understanding the fundamental link between structure and functionalization is crucial for the design and optimization of functional materials, since different structural configurat…
Biaxial strain modulated electronic structures of layered two-dimensional MoSiGeN4 Rashba systems
Puxuan Li, Xuan Wang, Haoyu Wang +5
The two-dimensional (2D) MA2Z4 family has received extensive attention in manipulating its electronic structure and achieving intriguing physical properties. However, engineering t…
Slidephononics: Tailoring Thermal Transport Properties by van der Waals Sliding
Linfeng Yu, Chen Shen, Guangzhao Qin +1
By interlayer sliding in van der Waals (vdW) materials, the switching electric polarization of ultrathin ferroelectric materials leads to the widely studied slidetronics. In this w…
Flat electronic band structure and anisotropic optical, mechanical, and thermoelectric properties of two-dimensional fullerene networks
Linfeng Yu, Jinyuan Xu, Bo Peng +2
Nanoclusters like fullerenes as the unit to build intriguing two-dimensional topological structures is of great challenge. Here we propose three bridged fullerene monolayers and co…
Softened sp2-sp3 bonding network leads to strong anharmonicity and weak hydrodynamics in graphene+
Linfeng Yu, Ailing Chen, Xiaoxia Wang +3
Graphene+, a novel carbon monolayer with sp2-sp3 hybridization, is recently reported to exhibit graphene-like Dirac properties and unprecedented out-of-plane half-auxetic behavior…
The consistent behavior of negative Poissons ratio with interlayer interactions
Yancong Wang, Linfeng Yu, Fa Zhang +6
Negative Poissons ratio (NPR) is of great interest due to the novel applications in lots of fields. Films are the most commonly used form in practical applications, which involves…
Accessing negative Poisson`s ratio of graphene by machine learning interatomic potentials
Jing Wu, E Zhou, Zhenzhen Qin +2
The negative Poisson`s ratio (NPR) is a novel property of materials, which enhances the mechanical feature and creates a wide range of application prospects in lots of fields, such…
Electrically driven robust tuning of lattice thermal conductivity
E Zhou, Donghai Wei, Jing Wu +2
Two-dimensional (2D) materials represented by graphene stand out in future electrical industry and have been widely studied. As a commonly existing factor in electronic devices, th…
The stable behavior of low thermal conductivity in 1T-sandwich structure with different components
E Zhou, Jing Wu, Chen Shen +2
Designing materials with low thermal conductivity (\k{appa}) is of demand for thermal protection, heat insulation, thermoelectricity, etc. In this paper, based on the start-of-art…
The synergistic modulation of electronic and geometry structures leads to ultra-low thermal conductivity of graphene-like borides (g-B3X5, X=N, P, As)
Linfeng Yu, Jinyuan Xu, Chen Shen +6
The design of novel devices with specific technical interests through modulating structural properties and bonding characteristics promotes the vigorous development of materials in…
Emerging negative Poisson's ratio driven by strong intralayer interaction response in rectangular transition metal chalcogenides
Linfeng Yu, Yancong Wang, Xiong Zhen +3
Auxetic behavior quantified by the negative Poisson's ratio (NPR) is commonly attributed to geometry evolution with re-entrant mechanism or other mechanical factors, which is thoug…
The record low thermal conductivity of monolayer Cuprous Iodide (CuI) with direct wide bandgap
Jinyuan Xu, Ailing Chen, Linfeng Yu +5
Two-dimensional materials have attracted lots of research interests due to the fantastic properties that are unique to the bulk counterparts. In this paper, from the state-of-the-a…
Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates
Jing Wu, E Zhou, An Huang +3
High-efficient heat dissipation plays critical role for high-power-density electronics. Experimental synthesis of ultrahigh thermal conductivity boron arsenide (BAs, 1300 W m-1K-1)…
Anisotropy of thermal transport in phosphorene: A comparative first-principles study using different exchange-correlation functional
Fa Zhang, Xiong Zheng, Huimin Wang +2
With the increasing applications of Phosphorene in nano/optoelectronics and thermoelectrics, a comprehensive study on its thermal transport properties is necessary. It has been con…
Novel Two-Dimensional Layered MSiN (M = Mo, W): New Promising Thermal Management Materials
Chen Shen, Lei Wang, Donghai Wei +4
With the miniaturization and integration of nanoelectronic devices, efficient heat removal becomes a key factor affecting the reliable operation of the nanoelectronic device. With…
Anomalously low thermal conductivity of two-dimensional GaP monolayers: A comparative study of the group GaX (X = N, P, As)
Chen Shen, Niloofar Hadaeghi, Harish K. Singh +4
With the successful synthesis of the two-dimensional (2D) gallium nitride (GaN) in a planar honeycomb structure, the phonon transport properties of 2D GaN have been reported. Howev…
Exploring T-carbon for Energy Applications
Guangzhao Qin, Kuan-Rong Hao, Qing-Bo Yan +2
Seeking for next-generation energy sources that are economic, sustainable (renewable), clean (environment-friendly), and abundant in earth is crucial when facing the challenges of…
Activated lone-pair electrons lead to low lattice thermal conductivity: a case study of boron arsenide
Guangzhao Qin, Zhenzhen Qin, Huimin Wang +1
Reducing thermal conductivity () is an efficient way to boost the thermoelectric performance to achieve direct solid-state conversion to electrical power from thermal energy, wh…
Anomalous thermal transport behavior in graphene-like carbon nitride (CN)
Guangzhao Qin, Zhenzhen Qin, Huimin Wang +2
New classes 2D carbon-based materials beyond graphene have been intensively studied for their promising applications in nano-/opto-/spin-electronics, catalysis, sensors, clean ener…
The role of resonant bonding in governing the thermal transport properties of two-dimensional black phosphorus
Guangzhao Qin, Ming Hu
Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with en…
Unconventional magnetic anisotropy in one-dimentional Rashba system realized by adsorbing Gd atom on zigzag graphene nanoribbons
Zhenzhen Qin, Guangzhao Qin, Bin Shao +1
The Rashba effect, a spin splitting in electronic band structure, attracts much attention for the potential applications in spintronics with no requirement of external magnetic fie…
Layer dependence of geometric, electronic and piezoelectric properties of SnSe
Wuzhang Fang, Li-Chuan Zhang, Guangzhao Qin +3
By means of first-principles calculations, we explore systematically the geometric, electronic and piezoelectric properties of multilayer SnSe. We find that these properties are la…
Methodology for determining the electronic thermal conductivity of metals via direct non-equilibrium ab initio molecular dynamics
Sheng-Ying Yue, Xiaoliang Zhang, Stephen Stackhouse +3
Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conducti…