TiC2: a new two-dimensional sheet beyond MXenes

作者: Tianshan Zhao , Shunhong Zhang , Yaguang Guo , Qian Wang

DOI: 10.1039/C5NR04472C

关键词: Heat capacityElectronic band structureChemical physicsDebyeMaterials scienceTransition metalMXenesDensity functional theoryNanotechnologyChemical stabilityAtom

摘要: … heat capacity and Debye temperature of the TiC 2 sheet. The calculated phonon heat capacity with respect … TiC 2 possesses higher carbon content as compared to the MXene Ti 2 C, we …

参考文章(69)
Jan-Ole Joswig, Michael Springborg, The influence of C2 dimers on the stability of TimCn metcar clusters Journal of Chemical Physics. ,vol. 129, pp. 134311- 134311 ,(2008) , 10.1063/1.2989958
S. Buzza, B. C. Guo, S. Wei, J. Purnell, A. W. Castleman, Metallo-Carbohedrenes: Formation of Multicage Structures Science. ,vol. 256, pp. 818- 820 ,(1992) , 10.1126/SCIENCE.256.5058.818
Ping Liu, José A. Rodriguez, Hua Hou, James T. Muckerman, Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and a bulk TiC(001) surface: A density functional study Journal of Chemical Physics. ,vol. 118, pp. 7737- 7740 ,(2003) , 10.1063/1.1570397
Jin-Cheng Lei, Xu Zhang, Zhen Zhou, Recent advances in MXene: Preparation, properties, and applications Frontiers of Physics in China. ,vol. 10, pp. 276- 286 ,(2015) , 10.1007/S11467-015-0493-X
Michael Naguib, Yury Gogotsi, Synthesis of two-dimensional materials by selective extraction. Accounts of Chemical Research. ,vol. 48, pp. 128- 135 ,(2015) , 10.1021/AR500346B
R Sumathi, M Hendrickx, QUANTUM CHEMICAL CALCULATIONS ON THE STRUCTURE AND ELECTRONIC PROPERTIES OF TIC2 Chemical Physics Letters. ,vol. 287, pp. 496- 502 ,(1998) , 10.1016/S0009-2614(97)01458-9
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
Lingshun Xu, Yuekang Jin, Zongfang Wu, Qing Yuan, Zhiquan Jiang, Yunsheng Ma, Weixin Huang, Transformation of Carbon Monomers and Dimers to Graphene Islands on Co(0001): Thermodynamics and Kinetics Journal of Physical Chemistry C. ,vol. 117, pp. 2952- 2958 ,(2013) , 10.1021/JP400111S
J. I. Martinez, A. Castro, A. Rubio, J. A. Alonso, Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory The Journal of Chemical Physics. ,vol. 125, pp. 074311- 074311 ,(2006) , 10.1063/1.2263732
Lijun Wu, Yimei Zhu, T. Vogt, Haibin Su, J. W. Davenport, J. Tafto, Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations Physical Review B. ,vol. 69, pp. 064501- ,(2004) , 10.1103/PHYSREVB.69.064501