Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Gao, Wenpei; Elnabawy, Ahmed O.; Hood, Zachary D.; Shi, Yifeng; Wang, Xue; Roling, Luke T.; Pan, Xiaoqing; Mavrikakis, Manos; Xia, Younan; Chi, Miaofang

doi:10.1038/s41467-021-23290-x

Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Journal Article · Wed Jun 02 00:00:00 EDT 2021 · Nature Communications

DOI:https://doi.org/10.1038/s41467-021-23290-x· OSTI ID:1785571

; ; Hood, Zachary D.; Shi, Yifeng; ; ; ; ; ;

Abstract

Despite the large number of reports on colloidal nanocrystals, very little is known about the mechanistic details in terms of nucleation and growth at the atomistic level. Taking bimetallic core-shell nanocrystals as an example, here we integrate in situ liquid-cell transmission electron microscopy with first-principles calculations to shed light on the atomistic details involved in the nucleation and growth of Pt on Pd cubic seeds. We elucidate the roles played by key synthesis parameters, including capping agent and precursor concentration, in controlling the nucleation site, diffusion path, and growth pattern of the Pt atoms. When the faces of a cubic seed are capped by Br ⁻ , Pt atoms preferentially nucleate from corners and then diffuse to edges and faces for the creation of a uniform shell. The diffusion does not occur until the Pt deposited at the corner has reached a threshold thickness. At a high concentration of the precursor, self-nucleation takes place and the Pt clusters then randomly attach to the surface of a seed for the formation of a non-uniform shell. These atomistic insights offer a general guideline for the rational synthesis of nanocrystals with diverse compositions, structures, shapes, and related properties.

View Journal Article

Sponsoring Organization:: USDOE

OSTI ID:: 1785571

Alternate ID(s):: OSTI ID: 1819530
OSTI ID: 1835533

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (41)

Synthesis and Characterization of Noble-Metal Nanostructures Containing Gold Nanorods in the Center Cho, Eun Chul; Camargo, Pedro H. C.; Xia, Younan Advanced Materials, Vol. 22, Issue 6 https://doi.org/10.1002/adma.200903097	journal	February 2010
In Situ Environmental TEM in Imaging Gas and Liquid Phase Chemical Reactions for Materials Research Wu, Jianbo; Shan, Hao; Chen, Wenlong Advanced Materials, Vol. 28, Issue 44 https://doi.org/10.1002/adma.201602519	journal	September 2016
Noble-Metal Nanocrystals with Concave Surfaces: Synthesis and Applications Zhang, Hui; Jin, Mingshang; Xia, Younan Angewandte Chemie International Edition, Vol. 51, Issue 31 https://doi.org/10.1002/anie.201201557	journal	May 2012
Seed-Mediated Growth of Colloidal Metal Nanocrystals Xia, Younan; Gilroy, Kyle D.; Peng, Hsin-Chieh Angewandte Chemie International Edition, Vol. 56, Issue 1 https://doi.org/10.1002/anie.201604731	journal	December 2016
Tuning Surface Structure and Strain in Pd-Pt Core-Shell Nanocrystals for Enhanced Electrocatalytic Oxygen Reduction Xiong, Yalin; Shan, Hao; Zhou, Zhengnan Small, Vol. 13, Issue 7 https://doi.org/10.1002/smll.201603423	journal	November 2016
Synthesis of Pd nanocrystals enclosed by {100} facets and with sizes <10 nm for application in CO oxidation Jin, Mingshang; Liu, Hongyang; Zhang, Hui Nano Research, Vol. 4, Issue 1 https://doi.org/10.1007/s12274-010-0051-3	journal	October 2010
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Thin Film Materials Freund, L. B.; Suresh, S. https://doi.org/10.1017/CBO9780511754715	book	July 2010
Quantifying the Nucleation and Growth Kinetics of Electron Beam Nanochemistry with Liquid Cell Scanning Transmission Electron Microscopy Wang, Mei; Park, Chiwoo; Woehl, Taylor J. Chemistry of Materials, Vol. 30, Issue 21 https://doi.org/10.1021/acs.chemmater.8b03050	journal	October 2018
Seed-Mediated Synthesis of Pd Nanocrystals: The Effect of Surface Capping on the Heterogeneous Nucleation and Growth Peng, Hsin-Chieh; Li, Zhuoming; Aldahondo, Gregory The Journal of Physical Chemistry C, Vol. 120, Issue 21 https://doi.org/10.1021/acs.jpcc.6b04679	journal	May 2016
Mechanistic Study of Pd–Cu Bimetallic Catalysts for Methanol Synthesis from CO ₂ Hydrogenation Liu, Lingna; Fan, Fei; Jiang, Zhao The Journal of Physical Chemistry C, Vol. 121, Issue 47 https://doi.org/10.1021/acs.jpcc.7b06166	journal	November 2017
Growth of Au on Pt Icosahedral Nanoparticles Revealed by Low-Dose In Situ TEM Wu, Jianbo; Gao, Wenpei; Wen, Jianguo Nano Letters, Vol. 15, Issue 4 https://doi.org/10.1021/acs.nanolett.5b00414	journal	March 2015
Real-Time Dynamics of Galvanic Replacement Reactions of Silver Nanocubes and Au Studied by Liquid-Cell Transmission Electron Microscopy Tan, Shu Fen; Lin, Guanhua; Bosman, Michel ACS Nano, Vol. 10, Issue 8 https://doi.org/10.1021/acsnano.6b03020	journal	July 2016
Dissolution Kinetics of Oxidative Etching of Cubic and Icosahedral Platinum Nanoparticles Revealed by in Situ Liquid Transmission Electron Microscopy Wu, Jianbo; Gao, Wenpei; Yang, Hong ACS Nano, Vol. 11, Issue 2 https://doi.org/10.1021/acsnano.6b07541	journal	February 2017
Kinetically Controlled Nucleation of Silver on Surfactant-Free Gold Seeds Gilroy, Kyle D.; Hughes, Robert A.; Neretina, Svetlana Journal of the American Chemical Society, Vol. 136, Issue 43 https://doi.org/10.1021/ja5081635	journal	October 2014
Pd@Pt Core–Shell Concave Decahedra: A Class of Catalysts for the Oxygen Reduction Reaction with Enhanced Activity and Durability Wang, Xue; Vara, Madeline; Luo, Ming Journal of the American Chemical Society, Vol. 137, Issue 47 https://doi.org/10.1021/jacs.5b10059	journal	November 2015
Real-Time Imaging of the Formation of Au–Ag Core–Shell Nanoparticles Tan, Shu Fen; Chee, See Wee; Lin, Guanhua Journal of the American Chemical Society, Vol. 138, Issue 16 https://doi.org/10.1021/jacs.6b00594	journal	January 2016
Quantitative Analysis of the Reduction Kinetics Responsible for the One-Pot Synthesis of Pd–Pt Bimetallic Nanocrystals with Different Structures Zhou, Ming; Wang, Helan; Vara, Madeline Journal of the American Chemical Society, Vol. 138, Issue 37 https://doi.org/10.1021/jacs.6b07213	journal	September 2016
Atomic Layer-by-Layer Deposition of Pt on Pd Nanocubes for Catalysts with Enhanced Activity and Durability toward Oxygen Reduction Xie, Shuifen; Choi, Sang-Il; Lu, Ning Nano Letters, Vol. 14, Issue 6 https://doi.org/10.1021/nl501205j	journal	May 2014
Electrocatalyst approaches and challenges for automotive fuel cells Debe, Mark K. Nature, Vol. 486, Issue 7401 https://doi.org/10.1038/nature11115	journal	June 2012
Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts Strasser, Peter; Koh, Shirlaine; Anniyev, Toyli Nature Chemistry, Vol. 2, Issue 6 https://doi.org/10.1038/nchem.623	journal	April 2010
Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces Stamenkovic, Vojislav R.; Mun, Bongjin Simon; Arenz, Matthias Nature Materials, Vol. 6, Issue 3, p. 241-247 https://doi.org/10.1038/nmat1840	journal	February 2007
Ru–Pt core–shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen Alayoglu, Selim; Nilekar, Anand U.; Mavrikakis, Manos Nature Materials, Vol. 7, Issue 4, p. 333-338 https://doi.org/10.1038/nmat2156	journal	March 2008
The effect of surface capping on the diffusion of adatoms in the synthesis of Pd@Au core–shell nanocrystals Liu, Maochang; Gilroy, Kyle D.; Peng, Hsin-Chieh Chemical Communications, Vol. 52, Issue 89 https://doi.org/10.1039/C6CC07456A	journal	January 2016
Toward rational nanoparticle synthesis: predicting surface intermixing in bimetallic alloy nanocatalysts Roling, Luke T.; Mavrikakis, Manos Nanoscale, Vol. 9, Issue 39 https://doi.org/10.1039/C7NR04779G	journal	January 2017
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Quantitative analysis of the reduction kinetics of a Pt(II) precursor in the context of Pt nanocrystal synthesis Zhou, Shan; Yang, Tung-Han; Zhao, Ming Chinese Journal of Chemical Physics, Vol. 31, Issue 4 https://doi.org/10.1063/1674-0068/31/cjcp1805121	journal	August 2018
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Accurate and simple analytic representation of the electron-gas correlation energy Perdew, John P.; Wang, Yue Physical Review B, Vol. 45, Issue 23, p. 13244-13249 https://doi.org/10.1103/PhysRevB.45.13244	journal	June 1992
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) Neugebauer, Jörg; Scheffler, Matthias Physical Review B, Vol. 46, Issue 24 https://doi.org/10.1103/PhysRevB.46.16067	journal	December 1992
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Dipole correction for surface supercell calculations Bengtsson, Lennart Physical Review B, Vol. 59, Issue 19 https://doi.org/10.1103/PhysRevB.59.12301	journal	May 1999
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Probing the dynamics of nanoparticle formation from a precursor at atomic resolution Gao, Wenpei; Tieu, Peter; Addiego, Christopher Science Advances, Vol. 5, Issue 1 https://doi.org/10.1126/sciadv.aau9590	journal	January 2019
Real-Time Imaging of Pt3Fe Nanorod Growth in Solution Liao, H. -G.; Cui, L.; Whitelam, S. Science, Vol. 336, Issue 6084 https://doi.org/10.1126/science.1219185	journal	May 2012
Facet development during platinum nanocube growth Liao, H. -G.; Zherebetskyy, D.; Xin, H. Science, Vol. 345, Issue 6199 https://doi.org/10.1126/science.1253149	journal	August 2014
Opportunities and challenges in liquid cell electron microscopy Ross, F. M. Science, Vol. 350, Issue 6267 https://doi.org/10.1126/science.aaa9886	journal	December 2015
Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets Zhang, L.; Roling, L. T.; Wang, X. Science, Vol. 349, Issue 6246 https://doi.org/10.1126/science.aab0801	journal	July 2015
Single-particle mapping of nonequilibrium nanocrystal transformations Ye, Xingchen; Jones, Matthew R.; Frechette, Layne B. Science, Vol. 354, Issue 6314 https://doi.org/10.1126/science.aah4434	journal	November 2016
CRC Handbook of Chemistry and Physics Haynes, W. M.; Lide, David R.; Bruno, Thomas J. CRC press https://doi.org/10.1201/9781315380476	book	June 2016

Similar Records

Epitaxial Overgrowth of Platinum on Palladium Nanocrystals

Journal Article · Mon Nov 01 00:00:00 EDT 2010 · Nanoscale · OSTI ID:1019443

Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

Citation Formats

References (41)

Similar Records

Related Subjects