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Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles
Published on: November 27, 2015
First-principles study of two-dimensional transition metal carbide Mn+1CnO2(M = Nb,Ta)
Yue Shang1, Yifan Han1, Wenhui Wan1
1Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, People's Republic of China.
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In the present work, the three stable MXenes Mn+1CnO2(M = Nb,Ta) are explored based on first-principles calculations. These materials are important derivatives of 2D materials and exhibit distinctive properties, holding vast potential in nanodevices. All these Mn+1CnO2(M = Nb,Ta) materials exhibit outstanding superconducting performance, with corresponding superconducting transition temperatures of 23.00 K, 25.00 K, and 29.00 K. Analysis reveals that the high superconducting transition temperatures of MXenes Mn+1CnO2(M = Nb,Ta) are closely associated with the high value of the logarithmic average of phonon frequencies,ωlog, and the strong electron-phonon coupling, attributed to the crucial contribution of low-frequency phonons. Additionally, we applied strain treatments of 2% and 4% to Mn+1CnO2(M = Nb,Ta), resulting in varying changes in superconducting transition temperatures under different strains.
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