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Reaction behaviors and specific exposed crystal planes manipulation mechanism of TiC nanoparticles
Author(s) -
Dong BaiXin,
Ma XuDong,
Liu TianShu,
Li Qiang,
Yang HongYu,
Shu ShiLi,
Zhang BingQi,
Qiu Feng,
Jiang QiChuan
Publication year - 2021
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.17699
Subject(s) - nanoparticle , materials science , morphology (biology) , crystal (programming language) , titanium carbide , carbide , nanotechnology , chemical engineering , crystal structure , crystal growth , titanium , density functional theory , doping , crystallography , metallurgy , chemistry , computational chemistry , optoelectronics , genetics , computer science , engineering , biology , programming language
Titanium carbide (TiC) nanoparticles with well‐designed exposed crystal planes perform intriguing prospects for functional and engineering applications. In this study, a simple and controllable in situ synthesis strategy was proposed for the synthesis of TiC nanoparticles with specific morphology. Reaction behaviors suggested that most of TiC nanoparticles were formed by an instantaneous reaction between Al 3 Ti and Al 4 C 3 in the Al‐rich melt and the resultant morphology was controlled by the discrepant growing rates of (100) and (111) crystal planes. In addition, a growth morphology control model was presented for the prediction and manipulation of the morphology of TiC nanoparticles by the doping of different alloying elements Me (Me = Cu, Mg, Mn, Zn, and Si). According to the morphological observations and density functional theory analyses including the interface energy, charge density differences, and orbital hybridization: Cu, Mg, and Zn atoms could stabilize the Al/TiC(111) interface, whereas Mn and Si atoms promoted the rapid growing and disappearance of the TiC(111) planes in the Al melt. This work provides a feasible way to intelligently design and manipulate TiC nanoparticles with desirable exposed crystal planes, and exhibits a promising prospect for personalized applications.