Tunable intrinsic strain in two-dimensional transition metal electrocatalysts

Wang, Lei; Zeng, Zhenhua; Gao, Wenpei; Maxson, Tristan; Raciti, David; Giroux, Michael; Pan, Xiaoqing; Wang, Chao; Greeley, Jeffrey

doi:10.1126/science.aat8051

Title: Tunable intrinsic strain in two-dimensional transition metal electrocatalysts

Journal Article · Thu Feb 21 00:00:00 EST 2019 · Science

DOI:https://doi.org/10.1126/science.aat8051· OSTI ID:1547726

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Tuning surface strain is a powerful strategy for tailoring the reactivity of metal catalysts. Traditionally, surface strain is imposed by external stress from a heterogeneous substrate, but the effect is often obscured by interfacial reconstructions and nanocatalyst geometries. Here, we report on a strategy to resolve these problems by exploiting intrinsic surface stresses in two-dimensional transition metal nanosheets. Density functional theory calculations indicate that attractive interactions between surface atoms lead to tensile surface stresses that exert a pressure on the order of 10 ⁵ atmospheres on the surface atoms and impart up to 10% compressive strain, with the exact magnitude inversely proportional to the nanosheet thickness. Atomic-level control of thickness thus enables generation and fine-tuning of intrinsic strain to optimize catalytic reactivity, which was confirmed experimentally on Pd(110) nanosheets for the oxygen reduction and hydrogen evolution reactions, with activity enhancements that were more than an order of magnitude greater than those of their nanoparticle counterparts.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0010379; EE0007270; E-AC02-06CH11357

OSTI ID:: 1547726

Journal Information:: Science, Journal Name: Science Vol. 363 Journal Issue: 6429; ISSN 0036-8075

Publisher:: American Association for the Advancement of Science (AAAS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 265 works

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References (58)

Quantum Size Effect Directed Selective Self-Assembling of Cobalt Phthalocyanine on Pb(111) Thin Films Jiang, Peng; Ma, Xucun; Ning, Yanxiao Journal of the American Chemical Society, Vol. 130, Issue 25 https://doi.org/10.1021/ja801255w	journal	June 2008
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Oxygen-induced reconstruction of the Pd(110) surface: an STM study Tanaka, Hiroyuki; Yoshinobu, Jun; Kawai, Maki Surface Science, Vol. 327, Issue 1-2 https://doi.org/10.1016/0039-6028(95)00031-3	journal	April 1995
Shape-Controlled Synthesis of Surface-Clean Ultrathin Palladium Nanosheets by Simply Mixing a Dinuclear Pd ^I Carbonyl Chloride Complex with H ₂ O Li, Huan; Chen, Guangxu; Yang, Huayan Angewandte Chemie International Edition, Vol. 52, Issue 32 https://doi.org/10.1002/anie.201303772	journal	June 2013
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
Reconstruction of Clean and Adsorbate-Covered Metal Surfaces Titmuss, S.; Wander, A.; King, D. A. Chemical Reviews, Vol. 96, Issue 4 https://doi.org/10.1021/cr950214c	journal	January 1996
Direct and continuous strain control of catalysts with tunable battery electrode materials Wang, Haotian; Xu, Shicheng; Tsai, Charlie Science, Vol. 354, Issue 6315 https://doi.org/10.1126/science.aaf7680	journal	November 2016
Universality in Heterogeneous Catalysis Nørskov, J. K.; Bligaard, T.; Logadottir, A. Journal of Catalysis, Vol. 209, Issue 2 https://doi.org/10.1006/jcat.2002.3615	journal	July 2002
Highly Crystalline Multimetallic Nanoframes with Three-Dimensional Electrocatalytic Surfaces Chen, C.; Kang, Y.; Huo, Z. Science, Vol. 343, Issue 6177 https://doi.org/10.1126/science.1249061	journal	February 2014
Oxygen Reduction Reaction Activity for Strain-Controlled Pt-Based Model Alloy Catalysts: Surface Strains and Direct Electronic Effects Induced by Alloying Elements Asano, Masato; Kawamura, Ryutaro; Sasakawa, Ren ACS Catalysis, Vol. 6, Issue 8 https://doi.org/10.1021/acscatal.6b01466	journal	July 2016
Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors Calle-Vallejo, F.; Tymoczko, J.; Colic, V. Science, Vol. 350, Issue 6257 https://doi.org/10.1126/science.aab3501	journal	October 2015
Relativistic effects in homogeneous gold catalysis Gorin, David J.; Toste, F. Dean Nature, Vol. 446, Issue 7134 https://doi.org/10.1038/nature05592	journal	March 2007
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
Strain-controlled electrocatalysis on multimetallic nanomaterials Luo, Mingchuan; Guo, Shaojun Nature Reviews Materials, Vol. 2, Issue 11 https://doi.org/10.1038/natrevmats.2017.59	journal	September 2017
Element-specific anisotropic growth of shaped platinum alloy nanocrystals Gan, Lin; Cui, Chunhua; Heggen, Marc Science, Vol. 346, Issue 6216 https://doi.org/10.1126/science.1261212	journal	December 2014
Pt ₅ Gd as a Highly Active and Stable Catalyst for Oxygen Electroreduction Escudero-Escribano, María; Verdaguer-Casadevall, Arnau; Malacrida, Paolo Journal of the American Chemical Society, Vol. 134, Issue 40 https://doi.org/10.1021/ja306348d	journal	September 2012
Mechanoelectrochemical Catalysis of the Effect of Elastic Strain on a Platinum Nanofilm for the ORR Exerted by a Shape Memory Alloy Substrate Du, Minshu; Cui, Lishan; Cao, Yi Journal of the American Chemical Society, Vol. 137, Issue 23 https://doi.org/10.1021/jacs.5b03034	journal	June 2015
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
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction Li, Mufan; Zhao, Zipeng; Cheng, Tao Science, Vol. 354, Issue 6318 https://doi.org/10.1126/science.aaf9050	journal	November 2016
Oxygen Reduction on Structurally Well Defined, Bimetallic PtRu Surfaces: Monolayer PtxRu1−x/Ru(0001) Surface Alloys Versus Pt Film Covered Ru(0001) Brimaud, S.; Engstfeld, A. K.; Alves, O. B. Topics in Catalysis, Vol. 57, Issue 1-4 https://doi.org/10.1007/s11244-013-0177-0	journal	October 2013
Charge-Induced Reversible Strain in a Metal Weissmuller, J. Science, Vol. 300, Issue 5617 https://doi.org/10.1126/science.1081024	journal	April 2003
Energy and fuels from electrochemical interfaces Stamenkovic, Vojislav R.; Strmcnik, Dusan; Lopes, Pietro P. Nature Materials, Vol. 16, Issue 1 https://doi.org/10.1038/nmat4738	journal	December 2016
Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction Escudero-Escribano, M.; Malacrida, P.; Hansen, M. H. Science, Vol. 352, Issue 6281 https://doi.org/10.1126/science.aad8892	journal	March 2016
Electrochemical Surface Stress Development during CO and NO Oxidation on Pt Ha, Yeyoung; Zeng, Zhenhua; Cohen, Yair The Journal of Physical Chemistry C, Vol. 120, Issue 16 https://doi.org/10.1021/acs.jpcc.6b00697	journal	April 2016
Core–Shell Nanostructured Cobalt–Platinum Electrocatalysts with Enhanced Durability Wang, Lei; Gao, Wenpei; Liu, Zhenyu ACS Catalysis, Vol. 8, Issue 1 https://doi.org/10.1021/acscatal.7b02501	journal	November 2017
Platinum Concave Nanocubes with High-Index Facets and Their Enhanced Activity for Oxygen Reduction Reaction Yu, Taekyung; Kim, Do Youb; Zhang, Hui Angewandte Chemie International Edition, Vol. 50, Issue 12 https://doi.org/10.1002/anie.201007859	journal	February 2011
Lattice and strain analysis of atomic resolution Z-contrast images based on template matching Zuo, Jian-Min; Shah, Amish B.; Kim, Honggyu Ultramicroscopy, Vol. 136 https://doi.org/10.1016/j.ultramic.2013.07.018	journal	January 2014
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
The Influence of Elastic Strain on Catalytic Activity in the Hydrogen Evolution Reaction Yan, Kai; Maark, Tuhina Adit; Khorshidi, Alireza Angewandte Chemie International Edition, Vol. 55, Issue 21 https://doi.org/10.1002/anie.201508613	journal	April 2016
Improved Oxygen Reduction Activity on Pt₃Ni(111) via Increased Surface Site Availability Stamenkovic, V. R.; Fowler, B.; Mun, B. S. Science, Vol. 315, Issue 5811, p. 493-497 https://doi.org/10.1126/science.1135941	journal	January 2007
Highly Enhanced Oxygen Reduction Reaction Activity and Electrochemical Stability of Pt/Ir(111) Bimetallic Surfaces Todoroki, Naoto; Watanabe, Hirofumi; Kondo, Takayuki Electrochimica Acta, Vol. 222 https://doi.org/10.1016/j.electacta.2016.11.149	journal	December 2016
Selective increase in CO ₂ electroreduction activity at grain-boundary surface terminations Mariano, Ruperto G.; McKelvey, Kim; White, Henry S. Science, Vol. 358, Issue 6367 https://doi.org/10.1126/science.aao3691	journal	November 2017
Degradation of Carbon-Supported Pt Bimetallic Nanoparticles by Surface Segregation Mayrhofer, Karl J. J.; Hartl, Katrin; Juhart, Viktorija Journal of the American Chemical Society, Vol. 131, Issue 45 https://doi.org/10.1021/ja9074216	journal	November 2009
Plating Precious Metals on Nonprecious Metal Nanoparticles for Sustainable Electrocatalysts Wang, Lei; Zeng, Zhenhua; Ma, Cheng Nano Letters, Vol. 17, Issue 6 https://doi.org/10.1021/acs.nanolett.7b00046	journal	May 2017
Extracting convergent surface energies from slab calculations Fiorentini, Vincenzo; Methfessel, M. Journal of Physics: Condensed Matter, Vol. 8, Issue 36 https://doi.org/10.1088/0953-8984/8/36/005	journal	September 1996
Tuning Adsorption via Strain and Vertical Ligand Effects Hoster, Harry E.; Alves, Otávio B.; Koper, Marc T. M. ChemPhysChem, Vol. 11, Issue 7 https://doi.org/10.1002/cphc.200900500	journal	May 2010
Biaxially strained PtPb/Pt core/shell nanoplate boosts oxygen reduction catalysis Bu, Lingzheng; Zhang, Nan; Guo, Shaojun Science, Vol. 354, Issue 6318 https://doi.org/10.1126/science.aah6133	journal	December 2016
Why gold is the noblest of all the metals Hammer, B.; Norskov, J. K. Nature, Vol. 376, Issue 6537 https://doi.org/10.1038/376238a0	journal	July 1995
Catalytic Activity−d-Band Center Correlation for the O ₂ Reduction Reaction on Platinum in Alkaline Solutions Lima, F. H. B.; Zhang, J.; Shao, M. H. The Journal of Physical Chemistry C, Vol. 111, Issue 1 https://doi.org/10.1021/jp065181r	journal	January 2007
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
In situ surface stress measurement and computational analysis examining the oxygen reduction reaction on Pt and Pd Ha, Yeyoung; Oberst, Justin L.; Zeng, Zhenhua Electrochimica Acta, Vol. 260 https://doi.org/10.1016/j.electacta.2017.12.039	journal	January 2018
Understanding Strain and Ligand Effects in Hydrogen Evolution over Pd(111) Surfaces Adit Maark, Tuhina; Peterson, Andrew A. The Journal of Physical Chemistry C, Vol. 118, Issue 8 https://doi.org/10.1021/jp4121035	journal	February 2014
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
Relativistic effects in structural chemistry Pyykko, Pekka Chemical Reviews, Vol. 88, Issue 3 https://doi.org/10.1021/cr00085a006	journal	May 1988
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
Relaxed core projector-augmented-wave method Marsman, M.; Kresse, G. The Journal of Chemical Physics, Vol. 125, Issue 10 https://doi.org/10.1063/1.2338035	journal	September 2006
Beneficial compressive strain for oxygen reduction reaction on Pt (111) surface Kattel, Shyam; Wang, Guofeng The Journal of Chemical Physics, Vol. 141, Issue 12 https://doi.org/10.1063/1.4896604	journal	September 2014
Surfactant Removal for Colloidal Nanoparticles from Solution Synthesis: The Effect on Catalytic Performance Li, Dongguo; Wang, Chao; Tripkovic, Dusan ACS Catalysis, Vol. 2, Issue 7 https://doi.org/10.1021/cs300219j	journal	June 2012
Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces Kitchin, J. R.; Nørskov, J. K.; Barteau, M. A. Physical Review Letters, Vol. 93, Issue 15 https://doi.org/10.1103/PhysRevLett.93.156801	journal	October 2004
Active Sites for the Oxygen Reduction Reaction on the Low and High Index Planes of Palladium Kondo, Shinpei; Nakamura, Masashi; Maki, Norihito The Journal of Physical Chemistry C, Vol. 113, Issue 29 https://doi.org/10.1021/jp904278b	journal	June 2009
Characterization of oxygenated species at water/Pt(111) interfaces from DFT energetics and XPS simulations Zeng, Zhenhua; Greeley, Jeffrey Nano Energy, Vol. 29 https://doi.org/10.1016/j.nanoen.2016.05.044	journal	November 2016
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. The Journal of Physical Chemistry B, Vol. 108, Issue 46 https://doi.org/10.1021/jp047349j	journal	November 2004
Hydrogen production from formic acid decomposition at room temperature using a Ag–Pd core–shell nanocatalyst Tedsree, Karaked; Li, Tong; Jones, Simon Nature Nanotechnology, Vol. 6, Issue 5 https://doi.org/10.1038/nnano.2011.42	journal	April 2011
Combining theory and experiment in electrocatalysis: Insights into materials design Seh, Zhi Wei; Kibsgaard, Jakob; Dickens, Colin F. Science, Vol. 355, Issue 6321 https://doi.org/10.1126/science.aad4998	journal	January 2017
Freestanding palladium nanosheets with plasmonic and catalytic properties Huang, Xiaoqing; Tang, Shaoheng; Mu, Xiaoliang Nature Nanotechnology, Vol. 6, Issue 1 https://doi.org/10.1038/nnano.2010.235	journal	December 2010
Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution Gao, Wenpei; Wu, Jianbo; Yoon, Aram Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-16900-6	journal	December 2017
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
Surface Coverage and SEI Induced Electrochemical Surface Stress Changes during Li Deposition in a Model System for Li-Ion Battery Anodes Tavassol, Hadi; Chan, Maria K. Y.; Catarello, Maria G. Journal of The Electrochemical Society, Vol. 160, Issue 6 https://doi.org/10.1149/2.068306jes	journal	January 2013

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