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Huimin Wang

Publications and source records attributed to Huimin Wang.

38 records · Page 3Linked to original sources

Anomalous thermal transport behavior in graphene-like carbon nitride (C$_3$N)

New classes 2D carbon-based materials beyond graphene have been intensively studied for their promising applications in nano-/opto-/spin-electronics, catalysis, sensors, clean energy, etc. Very recently, the controllable large-scale synthesis of 2D single crystalline carbon nitride (C3N) was reported, which is the first and the only crystalline, hole-free, single-layer carbon nitride with fascinating properties. Herein, we perform a comparative study of thermal transport between monolayer C3N and the parent graphene. The thermal conductivity (k) of C3N shows an anomalous temperature dependence, which is totally different from that for common crystalline materials and deviates largely from the well-known k~1/T relationship. Moreover, the k of C3N is found in surprise to be enlarged by applying bilateral tensile strain, despite its similar planar honeycomb structure as graphene, whose k is reduced upon stretching. The underlying mechanism is revealed by providing direct evidence for the interaction between lone-pair N-s electrons and bonding electrons from C atoms in C3N based on the analysis of orbital-projected electronic structures and electron localization function (ELF). Our study not only make a comprehensive investigation of the thermal transport in graphene-like C3N, but also reveals the physical origins for its anomalous properties, which deepens the understanding of phonon transport in 2D materials.

cond-mat.mtrl-sci↗

Activated lone-pair electrons lead to low lattice thermal conductivity: a case study of boron arsenide

Reducing thermal conductivity ($κ$) is an efficient way to boost the thermoelectric performance to achieve direct solid-state conversion to electrical power from thermal energy, which has lots of valuable applications in reusing waste resources. In this study, we propose an effective approach for realizing low $κ$ by introducing lone-pair electrons or making the lone-pair electrons stereochemically active through bond nanodesigning. As a case study, by cutting at the (111) cross section of the three-dimensional cubic boron arsenide (c-BAs), the $κ$ is lowered by more than one order of magnitude in the resultant two-dimensional system of graphene-like BAs (g-BAs) due to the stereochemically activated lone-pair electrons. Similar concept can be also extended to other systems with lone-pair electrons beyond BAs, such as group III-V compounds, where a strong correlation between $κ$ modulation and electronegativity difference for binary compounds is found. Thus, the lone-pair electrons combined with a small electronegativity difference could be the indicator of lowering $κ$ through bond nanodesigning to change the coordination environment. The proposed approach for realizing low $κ$ and the underlying mechanism uncovered in this study would largely benefit the design of thermoelectric devices with improved performance, especially in future researches involving novel materials for energy applications.

cond-mat.mtrl-sci↗