The band gap modulation of monolayer Ti2CO2 by strain

RSC Advances

Volumn 5, Issue 39, 2015, Pages 30438-30444

  Yu, Xue Fang ^a   Cheng, Jian Bo ^a   Liu, Zhen Bo ^a   Li, Qing Zhong ^a   Li, Wen Zuo ^a   Yang, Xin ^a   Xiao, Bo ^a  

^a YANTAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY GAP; HAFNIUM COMPOUNDS; MODULATION; MONOLAYERS; STRAIN; ZIRCONIUM COMPOUNDS;

BANDGAP MODULATION; BIAXIAL STRAINS; DIRECT BAND GAP; FIRST-PRINCIPLES SIMULATIONS; UNI-AXIAL STRAINS;

TITANIUM COMPOUNDS;

EID: 84926668135     PISSN: None     EISSN: 20462069     Source Type: Journal    
DOI: 10.1039/c5ra01586c     Document Type: Article

References (18)

1. n Phases: A New Class of Solids: Thermodynamically Stable Nanolaminates Prog. Solid State Chem. 2000 28 201 281
2. th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials Adv. Mater. 2014 26 992 1005
3. M. R. Lukatskaya O. Mashtalir C. E. Ren Y. Dall'Agnese P. Rozier P. L. Taberna M. Naguib P. Simon M. W. Barsoum Y. Gogotsi Cation Intercalation and High Volumetric Capacitance of Two-dimensional Titanium Carbide Science 2013 341 1502 1505
4. 2 (X = F, OH) Monolayer J. Am. Chem. Soc. 2012 134 16909 16916
5. Y. Xie M. Naguib V. N. Mochalin M. W. Barsoum Y. Gogotsi X. Yu K.-W. Nam X.-Q. Yang A. I. Kolesnikov P. R. Kent Role of Surface Structure on Li-Ion Energy Storage Capacity of Two Dimensional Transition Metal Carbides J. Am. Chem. Soc. 2014 136 6385 6394
6. X. Peng L. Peng C. Wu Y. Xie Two Dimensional Nanomaterials for Flexible Supercapacitors Chem. Soc. Rev. 2014 43 3303 3323
7. 2 by the Strain Effect ACS Appl. Mater. Interfaces 2014 6 14724 14728
8. 2 (Y = F and OH) All-2D Semiconductor/Metal Contacts Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 245307
9. M. Khazaei M. Arai T. Sasaki C.-Y. Chung N. S. Venkataramanan M. Estili Y. Sakka Y. Kawazoe Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides Adv. Funct. Mater. 2013 23 2185 2192
10. n (X = C, N) Monolayers Phys. Rev. B: Condens. Matter Mater. Phys. 2013 87 235441
11. 2 Nano Lett. 2014 14 4592 4597
12. 2 Monolayer by Strain: First-principles Calculations RSC Adv. 2014 4 7396 7401
13. G. Kresse J. Furthmüller Efficiency of ab initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996 6 15 50
14. G. Kresse J. Furthmüller Efficient Iterative Schemes for ab initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 11169 11186
15. G. Kresse J. Joubert From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758 1775
16. Y. Wang J. P. Perdew Correlation Hole of the Spin-Polarized Electron Gas, with Exact Small-Wave-Vector and High-Density Scaling Phys. Rev. B: Condens. Matter Mater. Phys. 1991 44 13298 13307
17. Y. Lee Y. Hwang S. B. Cho Y. C. Chung Achieving A Direct Band Gap in Oxygen Functionalized-Monolayer Scandium Carbide by Applying An Electric Field Phys. Chem. Chem. Phys. 2014 16 26273
18. Z. Ling C. E. Ren M. Q. Zhao J. Yang J. M. Giammarco J. S. Qiu M. W. Barsoum Y. Gogotsi Flexible and Conductive MXene Films and Nanocomposites with High Capacitance Proc. Natl. Acad. Sci. U. S. A. 2014 111 16676 16681