Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides
Minglei Sun,Udo Schwingenschlögl +1 more
TLDR
In this article, a two-dimensional δ-phase carbon monochalcoated carbon dioxide (CMCO) was proposed for nanomechanical applications using first-principles calculations.Abstract:
Auxetic materials (negative Poisson’s ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional δ-phase carbon monochalco...read more
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Tuning the electronic properties of MoSi2N4 by molecular doping: A first principles investigation
TL;DR: In this paper, the structural and electronic properties of organic molecule doped MoSi 2N4 monolayers were investigated using first principles calculations to study the effect of molecular doping.
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Electronic and Optical Properties of Atomic-Scale Heterostructure Based on MXene and MN (M = Al, Ga): A DFT Investigation.
TL;DR: In this paper, the authors investigated the properties of the heterostructure constructed by Hf2CO2, AlN and GaN and provided theoretical guidance for the design of heterostructures for use as photocatalytic and photovoltaic devices.
Journal ArticleDOI
Adsorption of metal atoms on MoSi2N4 monolayer: A first principles study
TL;DR: The magnetic and electronic properties of metal atoms adsorbedbedding MoSi2N4 monolayer have been systematically investigated by density functional theory as mentioned in this paper , and the results reveal that the most stable sites of MoSiN4-monolayer adaption by various metal are diverse.
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Remarkably improved Curie temperature for two-dimensional CrI3 by gas molecular adsorption: a DFT study
TL;DR: In this article, the electronic and magnetic properties of two-dimensional (2D) CrI3 adsorbed by gas molecules, CO, H 2, H2O and N2, were systematically calculated by means of first-principles simulation.
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Electronic, Magnetic, and Optical Performances of Non-Metals Doped Silicon Carbide
Lin Zhang,Zhen Cui +1 more
TL;DR: In this article , the configurations of nine different non-metals doped silicon carbide (NM-SiC) were structured by using the density functional theory (DFT).
References
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Double-negative-index ceramic aerogels for thermal superinsulation
Xiang Xu,Xiang Xu,Qiangqiang Zhang,Menglong Hao,Menglong Hao,Yuan Hu,Zhaoyang Lin,Lele Peng,Tao Wang,Xuexin Ren,Chen Wang,Zipeng Zhao,Chengzhang Wan,Huilong Fei,Lei Wang,Jian Zhu,Hongtao Sun,Hongtao Sun,Wen-Li Chen,Tao Du,Biwei Deng,Gary J. Cheng,Imran Shakir,Chris Dames,Chris Dames,Timothy S. Fisher,Xiang Zhang,Hui Li,Yu Huang,Xiangfeng Duan +29 more
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Journal ArticleDOI
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Chris Davies,Marina R. Filip,Jay B. Patel,Timothy W. Crothers,Carla Verdi,Adam D. Wright,Rebecca L. Milot,Feliciano Giustino,Michael B. Johnston,Laura M. Herz +9 more
TL;DR: It is shown that the sharpening of photon, electron and hole distribution functions significantly enhances bimolecular charge recombination as the temperature is lowered, mirroring trends in transient spectroscopy.
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Auxetic Black Phosphorus: A 2D Material with Negative Poisson’s Ratio
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