Journal Article10.1016/J.COMMATSCI.2017.03.036
Phonon spectrum, IR and Raman modes, thermal expansion tensor and thermal physical properties of M2TiAlC2 (M = Cr, Mo, W)
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TL;DR: In this paper, the phonon spectra, phonon optical activities, thermal expansion and thermodynamic properties of ordered quaternary carbides were studied by first-principles phonon calculations.
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About: This article is published in Computational Materials Science. The article was published on 15 Jun 2017. The article focuses on the topics: Raman spectroscopy & Phonon.
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Citations
Synthesis, microstructure, and properties of high purity Mo2TiAlC2 ceramics fabricated by spark plasma sintering
TL;DR: In this paper, the synthesis, microstructure, and properties of high purity dense bulk Mo2TiAlC2 ceramics were studied, and the synthesis mechanism of the dense sample was explored by analyzing the compositions of samples sintered at different temperatures.
Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches
V. Saltas,Denis Horlait,E. N. Sgourou,Filippos Vallianatos,Alexander Chroneos,Alexander Chroneos +5 more
TL;DR: In this article, a review of the applicability of methods that constitute the investigation of solid solutions computationally tractable is presented, which is important as computational modelling is required to calculate numerous defect properties and to act synergistically with experiment to understand these materials.
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Guideline for synthesis and surface chemistry characterization of 2D Mo/Ti solid solutions based MXene. Application to hydrogen evolution reaction in alkaline media
Lola Loupias,Cláudia Morais,Sophie Morisset,C. Canaff,Zheming Li,Florian Brette,Patrick Chartier,Nadia Guignard,Laetitia Maziere,Vincent Mauchamp,Thierry Cabioc'h,Aurélien Habrioux,Stéphane Célérier +12 more
TL;DR: This study synthesizes and characterizes 2D Mo/Ti solid solution MXenes, exploring their surface chemistry and potential as hydrogen evolution reaction (HER) catalysts in alkaline media, highlighting their advantages over mono-metallic MXenes and parent MAX phases.
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A Green and Fluorine‐Free Fabrication of 3D Self‐Supporting MXene by Combining Anodic Electrochemical In Situ Etching with Cathodic Electrophoretic Deposition for Electrocatalytic Hydrogen Evolution
Minhao Sheng,Xiaoqing Bin,Yawei Yang,Zhong Chen,Wenxiu Que +4 more
TL;DR: A green and fluorine‐free fabrication of 3D self‐supporting MXene by combining anodic electrochemical in situ etching with cathodic electrophoretic deposition enables the direct fabrication of MXene electrodes without the use of organic large‐molecule intercalation agents or ultrasound treatment.
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An insight into the effects of transition metals on the thermal expansion of complex perovskite compounds: an experimental and density functional theory investigation
TL;DR: Thermal expansion coefficients (TECs) at finite temperatures were obtained by quasi harmonic approximation and B-site doping was found to reduce the size of the crystalline grains and the TECs of perovskite compounds.
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References
Crystal structure and formation mechanism of (Cr2/3Ti1/3)3AlC2 MAX phase
Zhimou Liu,Erdong Wu,Jiemin Wang,Yuhai Qian,Huimin Xiang,Xichao Li,Qianqian Jin,Guangai Sun,Xiping Chen,Jingyang Wang,Meishuan Li +10 more
TL;DR: In this paper, the crystal structure of the newly synthesized quaternary MAX phase (Cr2/3Ti1/3)3AlC2 was systematically characterized by various techniques.
176
Combustion synthesis of ternary carbide Ti3AlC2 in Ti–Al–C system
TL;DR: In this paper, a method for fabrication of Ti 3 AlC 2 by combustion synthesis was developed, and the effects of the initial ratio among the above-mentioned materials on the combustion behavior and phase formations in the final products were investigated.
169
Anisotropic elastic and thermal properties of titanium borides by first-principles calculations
TL;DR: In this paper, the anisotropic elastic and thermal expansions of the titanium borides (TiB 2, Ti 3 B 4, TiB_Pnma and TiB _ Fm 3 ¯ m ) are calculated from first-principles using density functional theory.
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