Effective Method for the Determination of the Unit Cell Parameters of New MXenes

被引:11
作者
Syuy, Alexander [1 ,2 ]
Shtarev, Dmitry [1 ]
Lembikov, Alexey [1 ]
Gurin, Mikhail [1 ]
Kevorkyants, Ruslan [3 ]
Tselikov, Gleb [2 ]
Arsenin, Aleksey [2 ]
Volkov, Valentyn [2 ]
机构
[1] Far Eastern Fed Univ, Inst High Technol & Adv Mat, Vladivostok 690922, Russia
[2] Moscow Inst Phys & Technol, Ctr Photon & Mat 2D, Dolgoprudnyi 141701, Russia
[3] Hong Kong Sci & Technol Pk Corp, Hong Kong Quantum AI Lab Ltd, Hong Kong, Peoples R China
基金
俄罗斯科学基金会;
关键词
MAX phase; MXenes; unit cell; crystal lattice; 2D materials; multilayered materials; CRYSTALLOGRAPHY OPEN DATABASE; OPEN-ACCESS COLLECTION;
D O I
10.3390/ma15248798
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
MXenes are of great practical interest. While the physical properties of such a well-known MAX phase as Ti3AlC2 and the Ti3C2 MXene that is based on it have been widely studied, it is extremely important to study the properties of new four-component MAX-phases and the MXenes based on them. To do this, first, it is necessary to characterize the obtained materials. In this work, the Ti3-xNbxC2 MXene was characterized. Since the material is fairly new, there are no crystallographic data for such systems in the international databases. We proposed a method for the determination of the main unit cell parameters of the new Ti3-xNbxC2 MXene, which was based on a combination of the DFT method, TEM studies, and an X-ray diffraction analysis.
引用
收藏
页数:9
相关论文
共 33 条
[1]  
Asad S., 2022, ACS APPL ENERG MATER, V5, P11933
[2]   Thermal and electrical properties of Nb2AlC, (Ti, Nb)2AlC and Ti2AlC [J].
Barsoum, MW ;
Salama, I ;
El-Raghy, T ;
Golczewski, J ;
Porter, WD ;
Wang, H ;
Seifert, HJ ;
Aldinger, F .
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2002, 33 (09) :2775-2779
[3]   MXene: an emerging two-dimensional material for future energy conversion and storage applications [J].
Chaudhari, Nitin K. ;
Jin, Hanuel ;
Kim, Byeongyoon ;
Baek, Du San ;
Joo, Sang Hoon ;
Lee, Kwangyeol .
JOURNAL OF MATERIALS CHEMISTRY A, 2017, 5 (47) :24564-24579
[4]  
Downs RT, 2003, AM MINERAL, V88, P247
[5]   Electronic, thermal, and elastic properties of Ti3Si1-xGexC2 solid solutions -: art. no. 085104 [J].
Finkel, P ;
Seaman, B ;
Harrell, K ;
Palma, J ;
Hettinger, JD ;
Lofland, SE ;
Ganguly, A ;
Barsoum, MW ;
Sun, Z ;
Li, S ;
Ahuja, R .
PHYSICAL REVIEW B, 2004, 70 (08) :085104-1
[6]   MXenes: Two-Dimensional Building Blocks for Future Materials and Devices [J].
Gogotsi, Yury ;
Huang, Qing .
ACS NANO, 2021, 15 (04) :5775-5780
[7]   The Rise of MXenes [J].
Gogotsi, Yury ;
Anasori, Babak .
ACS NANO, 2019, 13 (08) :8491-8494
[8]   ABINIT: First-principles approach to material and nanosystem properties [J].
Gonze, X. ;
Amadon, B. ;
Anglade, P. -M. ;
Beuken, J. -M. ;
Bottin, F. ;
Boulanger, P. ;
Bruneval, F. ;
Caliste, D. ;
Caracas, R. ;
Cote, M. ;
Deutsch, T. ;
Genovese, L. ;
Ghosez, Ph. ;
Giantomassi, M. ;
Goedecker, S. ;
Hamann, D. R. ;
Hermet, P. ;
Jollet, F. ;
Jomard, G. ;
Leroux, S. ;
Mancini, M. ;
Mazevet, S. ;
Oliveira, M. J. T. ;
Onida, G. ;
Pouillon, Y. ;
Rangel, T. ;
Rignanese, G. -M. ;
Sangalli, D. ;
Shaltaf, R. ;
Torrent, M. ;
Verstraete, M. J. ;
Zerah, G. ;
Zwanziger, J. W. .
COMPUTER PHYSICS COMMUNICATIONS, 2009, 180 (12) :2582-2615
[9]   Computing stoichiometric molecular composition from crystal structures [J].
Grazulis, Saulius ;
Merkys, Andrius ;
Vaitkus, Antanas ;
Okulic-Kazarinas, Mykolas .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2015, 48 :85-91
[10]   Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration [J].
Grazulis, Saulius ;
Daskevic, Adriana ;
Merkys, Andrius ;
Chateigner, Daniel ;
Lutterotti, Luca ;
Quiros, Miguel ;
Serebryanaya, Nadezhda R. ;
Moeck, Peter ;
Downs, Robert T. ;
Le Bail, Armel .
NUCLEIC ACIDS RESEARCH, 2012, 40 (D1) :D420-D427