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Atomistic Imaging of Competition between Surface Diffusion and Phase Transition During the Intermetallic Formation of Faceted Particles

46 Pages Posted: 15 Oct 2019 Sneak Peek Status: Review Complete

See all articles by Fan Li

Fan Li

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites

Yuan Zong

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites

Yanling Ma

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites

Wen Shang

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Peng Tao

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Chengyi Song

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Tao Deng

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Hong Zhu

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Jianbo Wu

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites; University of California, Irvine, Henry Samueli School of Engineering, Department of Chemical Engineering and Materials Science; University of California, Irvine - Department of Physics and Astronomy

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Abstract

To explore the ordering mechanism of facet alloy nanocrystals with randomly distributed atoms, we investigated kinetic and thermodynamic behaviors of ordering phase transition from face-centered cubic (FCC) Pt3Co nanocrystals to L12-Pt3Co intermetallic nanocrystals. It was observed that the ordering occurs from surface and then gradually into the interior in a layer-by-layer mode, involving the competition between two kinds of phase transition modes: long range surface diffusion-induced phase transition (SDIPT) and short range reconstruction-induced body phase transition (RIBPT). The density functional theory (DFT) calculations demonstrated that surface status plays an important role in the thermodynamics and kinetics of the nanoscale ordering transition. With the control of heating process, both of SDIPT and RIBPT modes can be manipulated as well as the morphology of the final product. This work provides a rational design idea about preparing shape-controlled intermetallic nanostructures with excellent electrochemical performance by utilizing the thermal annealing method.

Keywords: In situ atomic STEM images, Nanometallurgy, Surface diffusion, Phase transition of intermetallics

Suggested Citation

Li, Fan and Zong, Yuan and Ma, Yanling and Shang, Wen and Tao, Peng and Song, Chengyi and Deng, Tao and Zhu, Hong and Wu, Jianbo, Atomistic Imaging of Competition between Surface Diffusion and Phase Transition During the Intermetallic Formation of Faceted Particles (October 11, 2019). MATTER-D-19-00368. Available at SSRN: https://ssrn.com/abstract=3467823 or http://dx.doi.org/10.2139/ssrn.3467823
This is a paper under consideration at Cell Press and has not been peer-reviewed.

Fan Li

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites

Shanghai 200030, Shanghai 200052
China

Yuan Zong

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

Yanling Ma

Shanghai Jiao Tong University (SJTU) - State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

Wen Shang

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Shanghai 200030, Shanghai 200052
China

Peng Tao

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites

Shanghai 200030, Shanghai 200052
China

Chengyi Song

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

Tao Deng

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

Hong Zhu

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

Jianbo Wu (Contact Author)

Shanghai Jiao Tong University (SJTU), School of Materials Science and Engineering, State Key Laboratory of Metal Matrix Composites ( email )

Shanghai 200030, Shanghai 200052
China

University of California, Irvine, Henry Samueli School of Engineering, Department of Chemical Engineering and Materials Science ( email )

916 Engineering Tower
Irvine, CA 92697-2575
United States

University of California, Irvine - Department of Physics and Astronomy ( email )

P.O. Box 19556
Irvine, CA 62697-3125
United States

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