Jiao An

Chain disorder induced by the bonding polarity in the incommensurate structure of antimony

Bohao Zhao, Bei-Lei Liu, Yuechao Wang, Xuqiang Liu et autres

The chain disordering transition, often observed in incommensurate host-guest (HG) systems, has never been observed in antimony, and the underlying mechanism remains poorly understood. Here, the x-ray diffraction results show that, upon decompression from 12 GPa to ambient pressure at 90 K, …

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Oscillatory mechanoluminescence of Mn2+-doped SrZnOS in dynamic response to rapid compression

Hao Wang, Tingting Zhao, Mei Li, Junlong Li et autres

Photon emission may be continuously produced from mechanical work through self-recoverable mechanoluminescence (ML). Significant progress has been made in high-performance ML materials in the past decades, but the rate-dependent ML kinetics remains poorly understood. Here, we have conducted systematic studies on the …

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Emergence and Tuning of Multiple Flat Bands in Twisted Bilayer γ-Graphyne

Jiao An, Jun Yong Kang

Using twisted bilayer γ-graphyne (TBGY) as an example, we show that it is possible to create multiple flat bands in carbon allotropes without the requirement of a specified magic angle. The origin of the flat bands can be understood by a simple …

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Achieving reversible precipitation-decomposition of reactive Li2S towards high-areal-capacity lithium-sulfur batteries with a wide-temperature range

Pan Zeng, Cheng Yuan, Jiao An, Xiaofei Yang et autres

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Critical Role of Order–Disorder Behavior in Perovskite Ferroelectric KNbO3

Zhi Tan, Yuting Peng, Jiao An, Qiming Zhang et autres

The evolution of local atomic configuration and macroscopic electrical properties of KNbO 3 is investigated in detail using ab initio molecular dynamics simulations within the framework of density functional theory. By analyzing the local off-center displacements of K and Nb atoms, the …

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Curvature-induced bandgap reduction in TiO2 double-walled nanotubes

Jiao An, Prabath Wanaguru, Zhi Tan, Yuting Peng et autres

The geometric and electronic properties of the double-walled nanotubes (DWNTs), constructed by the two coaxial single-walled nanotubes (SWNTs) rolling the hexagonal titanium dioxide (TiO2) nanosheet along with the armchair (ac-) and the zigzag (zz-) directions, have been investigated systematically using the methods …

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Prediction of Traffic Flow on Highway Ramp in Scenic Area

Chuanhong Du, Licai Liu, Shuaishuai Shi, Jiao An

Abstract Through the phase space reconstruction technology, it is proved that there are chaotic behaviors on highway ramp. The establishment of a traffic flow prediction model can also solve the impact of unexpected accidents or delayed management. Short term traffic flow prediction …

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First-principles study of the single- and double-walled nanotubes of TiO2

Jiao An, Prabath Wanaguru, Zhi Tan, Yuting Peng et autres

The geometric and electronic properties of the TiO2 single- and double-walled nanotubes (SWNT and DWNT), constructed by rolling the hexagonal nanosheet along the armchair (n,n) and the zigzag (n,0) directions, have been investigated systematically using the methods based on the density functional …

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The tunable ferroelectricity and piezoelectricity of the KNN piezoceramics by Na concentrations: First-principles calculations

Yuting Peng, Zhi Tan, Jiao An, Jianguo Zhu et autres

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FIRST-PRINCIPLES STUDIES OF THE LOW DIMENSIONAL TRANSITION METAL OXIDES

Jiao An

Intrinsic origin of enhanced piezoelectricity in alkali niobate‐based lead‐free ceramics

Zhi Tan, Yuting Peng, Jiao An, Qiming Zhang et autres

Abstract An orientational average method is used to calculate the piezoelectric coefficients of KNbO 3 and K 0.5 Na 0.5 NbO 3 (KN and KNN) piezoceramics, which is the first time that an ab initio method has been used to directly compare …

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Size-controlled excitonic effects on electronic and optical properties of Sb 2 S 3 nanowires

Yuting Peng, Congxin Xia, Zhi Tan, Jiao An et autres

In this work, the electronic and optical properties of one-dimensional (1D) Sb2S3 nanowires (NWs) with different sizes are investigated using first-principles calculations. The indirect-direct band transition of Sb2S3 NWs can be tuned effectively by the NW size and various uniaxial strains. In …

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