Kinetic and Thermodynamic Factors Influencing Palladium Nanoparticle Redispersion into Mononuclear Pd(II) Cations in Zeolite Supports

Lardinois, Trevor M.; Mandal, Keka; Yadav, Vamakshi; Wijerathne, Asanka; Bolton, Brandon K.; Lippie, Harrison; Li, Christina W.; Paolucci, Christopher; Gounder, Rajamani

doi:10.1021/acs.jpcc.2c01613

Title: Kinetic and Thermodynamic Factors Influencing Palladium Nanoparticle Redispersion into Mononuclear Pd(II) Cations in Zeolite Supports

Journal Article · 10 May 2022 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.2c01613· OSTI ID:1978049

Lardinois, Trevor M. ^[1];

^[2]; Yadav, Vamakshi ^[3]; Wijerathne, Asanka ^[2]; Bolton, Brandon K. ^[1];

^[1];

^[3];

^[2];

^[1]

Charles D. Davidson School of Chemical Engineering, Purdue University, 480 Stadium Mall Drive, West Lafayette, Indiana 47907, United States
Department of Chemical Engineering, University of Virginia, P.O. Box 400259, Charlottesville, Virginia 22903, United States
Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States

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Research Organization:: Univ. of Kentucky, Lexington, KY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

DOE Contract Number:: EE0008213

OSTI ID:: 1978049

Journal Information:: Journal of Physical Chemistry. C, Vol. 126, Issue 19; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (121)

Evolution of Isolated Atoms and Clusters in Catalysis Liu, Lichen; Corma, Avelino Trends in Chemistry, Vol. 2, Issue 4 https://doi.org/10.1016/j.trechm.2020.02.003	journal	April 2020
Single atom catalysis poised to transition from an academic curiosity to an industrially relevant technology Datye, Abhaya K.; Guo, Hua Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-21152-0	journal	February 2021
Confining isolated atoms and clusters in crystalline porous materials for catalysis Liu, Lichen; Corma, Avelino Nature Reviews Materials, Vol. 6, Issue 3 https://doi.org/10.1038/s41578-020-00250-3	journal	October 2020
Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites Li, Zhi; Ji, Shufang; Liu, Yiwei Chemical Reviews, Vol. 120, Issue 2 https://doi.org/10.1021/acs.chemrev.9b00311	journal	December 2019
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles Liu, Lichen; Corma, Avelino Chemical Reviews, Vol. 118, Issue 10 https://doi.org/10.1021/acs.chemrev.7b00776	journal	April 2018
Heterogeneous single-atom catalysis Wang, Aiqin; Li, Jun; Zhang, Tao Nature Reviews Chemistry, Vol. 2, Issue 6 https://doi.org/10.1038/s41570-018-0010-1	journal	May 2018
Catalyst deactivation via decomposition into single atoms and the role of metal loading Goodman, Emmett D.; Johnston-Peck, Aaron C.; Dietze, Elisabeth M. Nature Catalysis, Vol. 2, Issue 9 https://doi.org/10.1038/s41929-019-0328-1	journal	August 2019
Activation of surface lattice oxygen in single-atom Pt/CeO ₂ for low-temperature CO oxidation Nie, Lei; Mei, Donghai; Xiong, Haifeng Science, Vol. 358, Issue 6369 https://doi.org/10.1126/science.aao2109	journal	December 2017
Low-Temperature Catalytic NO Reduction with CO by Subnanometric Pt Clusters Fernández, Estefanía; Liu, Lichen; Boronat, Mercedes ACS Catalysis, Vol. 9, Issue 12 https://doi.org/10.1021/acscatal.9b03207	journal	October 2019
Evolution and stabilization of subnanometric metal species in confined space by in situ TEM Liu, Lichen; Zakharov, Dmitri N.; Arenal, Raul Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03012-6	journal	February 2018
Tunable Electronic Metal–Support Interactions on Ceria-Supported Noble-Metal Nanocatalysts in Controlling the Low-Temperature CO Oxidation Activity Yuan, Kun; Guo, Yu; Huang, Ling Inorganic Chemistry, Vol. 60, Issue 7 https://doi.org/10.1021/acs.inorgchem.0c03219	journal	December 2020
Thermally stable single-atom platinum-on-ceria catalysts via atom trapping Jones, J.; Xiong, H.; DeLaRiva, A. T. Science, Vol. 353, Issue 6295 https://doi.org/10.1126/science.aaf8800	journal	July 2016
Promoting Effects of Hydrothermal Treatment on the Activity and Durability of Pd/CeO ₂ Catalysts for CO Oxidation Jeong, Hojin; Bae, Junemin; Han, Jeong Woo ACS Catalysis, Vol. 7, Issue 10 https://doi.org/10.1021/acscatal.7b01810	journal	September 2017
Thermally Stable and Regenerable Platinum-Tin Clusters for Propane Dehydrogenation Prepared by Atom Trapping on Ceria Xiong, Haifeng; Lin, Sen; Goetze, Joris Angewandte Chemie International Edition, Vol. 56, Issue 31 https://doi.org/10.1002/anie.201701115	journal	June 2017
Atomically Dispersed Dopants for Stabilizing Ceria Surface Area Alcala, Ryan; DeLaRiva, Andrew; Peterson, Eric J. Applied Catalysis B: Environmental, Vol. 284 https://doi.org/10.1016/j.apcatb.2020.119722	journal	May 2021
Construction of Active Site in a Sintered Copper–Ceria Nanorod Catalyst Yu, Wen-Zhu; Wang, Wei-Wei; Li, Shan-Qing Journal of the American Chemical Society, Vol. 141, Issue 44 https://doi.org/10.1021/jacs.9b05419	journal	October 2019
Activation and Deactivation of Gold/Ceria–Zirconia in the Low‐Temperature Water–Gas Shift Reaction Carter, James H.; Liu, Xi; He, Qian Angewandte Chemie International Edition, Vol. 56, Issue 50 https://doi.org/10.1002/anie.201709708	journal	November 2017
Reaction-Relevant Gold Structures in the Low Temperature Water-Gas Shift Reaction on Au-CeO ₂ Deng, Weiling; Frenkel, Anatoly I.; Si, Rui The Journal of Physical Chemistry C, Vol. 112, Issue 33 https://doi.org/10.1021/jp800075y	journal	August 2008
Identification of single-site gold catalysis in acetylene hydrochlorination Malta, Grazia; Kondrat, Simon A.; Freakley, Simon J. Science, Vol. 355, Issue 6332 https://doi.org/10.1126/science.aal3439	journal	March 2017
Deactivation of a Single-Site Gold-on-Carbon Acetylene Hydrochlorination Catalyst: An X-ray Absorption and Inelastic Neutron Scattering Study Malta, G.; Kondrat, S. A.; Freakley, S. J. ACS Catalysis, Vol. 8, Issue 9 https://doi.org/10.1021/acscatal.8b02232	journal	July 2018
Mild oxidation of methane to methanol or acetic acid on supported isolated rhodium catalysts Shan, Junjun; Li, Mengwei; Allard, Lawrence F. Nature, Vol. 551, Issue 7682 https://doi.org/10.1038/nature24640	journal	November 2017
Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening? Hansen, Thomas W.; DeLaRiva, Andrew T.; Challa, Sivakumar R. Accounts of Chemical Research, Vol. 46, Issue 8 https://doi.org/10.1021/ar3002427	journal	April 2013
Thermally Stable Single‐Atom Heterogeneous Catalysts Xiong, Haifeng; Datye, Abhaya K.; Wang, Yong Advanced Materials, Vol. 33, Issue 50 https://doi.org/10.1002/adma.202004319	journal	March 2021
Dispersing nanoparticles into single atoms Datye, Abhaya K. Nature Nanotechnology, Vol. 14, Issue 9 https://doi.org/10.1038/s41565-019-0513-z	journal	August 2019
Reversible Transformation of Pt Nanoparticles into Single Atoms inside High-Silica Chabazite Zeolite Moliner, Manuel; Gabay, Jadeene E.; Kliewer, Chris E. Journal of the American Chemical Society, Vol. 138, Issue 48 https://doi.org/10.1021/jacs.6b10169	journal	November 2016
Reversible Metal Aggregation and Redispersion Driven by the Catalytic Water Gas Shift Half-Reactions: Interconversion of Single-Site Rhodium Complexes and Tetrarhodium Clusters in Zeolite HY Fang, Chia-Yu; Zhang, Shengjie; Hu, Yiqin ACS Catalysis, Vol. 9, Issue 4 https://doi.org/10.1021/acscatal.8b04798	journal	February 2019
Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions Ouyang, Runhai; Liu, Jin-Xun; Li, Wei-Xue Journal of the American Chemical Society, Vol. 135, Issue 5 https://doi.org/10.1021/ja3087054	journal	January 2013
Operando Insights into Nanoparticle Transformations during Catalysis Bergmann, Arno; Roldan Cuenya, Beatriz ACS Catalysis, Vol. 9, Issue 11 https://doi.org/10.1021/acscatal.9b01831	journal	August 2019
Direct observation of noble metal nanoparticles transforming to thermally stable single atoms Wei, Shengjie; Li, Ang; Liu, Jin-Cheng Nature Nanotechnology, Vol. 13, Issue 9 https://doi.org/10.1038/s41565-018-0197-9	journal	July 2018
Carbon monoxide-induced adatom sintering in a Pd–Fe3O4 model catalyst Parkinson, Gareth S.; Novotny, Zbynek; Argentero, Giacomo Nature Materials, Vol. 12, Issue 8 https://doi.org/10.1038/nmat3667	journal	June 2013
Dynamics of Single Pt Atoms on Alumina during CO Oxidation Monitored by Operando X-ray and Infrared Spectroscopies Dessal, Caroline; Len, Thomas; Morfin, Franck ACS Catalysis, Vol. 9, Issue 6 https://doi.org/10.1021/acscatal.9b00903	journal	May 2019
Single‐Site vs. Cluster Catalysis in High Temperature Oxidations Serna, Pedro; Rodríguez‐Fernández, Aida; Yacob, Sara Angewandte Chemie, Vol. 133, Issue 29 https://doi.org/10.1002/ange.202102339	journal	June 2021
Interface dynamics of Pd–CeO2 single-atom catalysts during CO oxidation Muravev, Valery; Spezzati, Giulia; Su, Ya-Qiong Nature Catalysis, Vol. 4, Issue 6 https://doi.org/10.1038/s41929-021-00621-1	journal	June 2021
Low temperature CO oxidation over Pd catalysts supported on highly ordered mesoporous metal oxides Jin, Mingshi; Park, Jung-Nam; Shon, Jeong Kuk Catalysis Today, Vol. 185, Issue 1 https://doi.org/10.1016/j.cattod.2011.09.019	journal	May 2012
Elucidating the mechanism of heterogeneous Wacker oxidation over Pd-Cu/zeolite Y by transient XAS Imbao, Jerick; van Bokhoven, Jeroen A.; Clark, Adam Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14982-x	journal	February 2020
On the Promotional and Inhibitory Effects of Water on Wacker-Type Ethylene Oxidation Over Pd–Cu/Zeolite Y Imbao, Jerick; van Bokhoven, Jeroen A.; Nachtegaal, Maarten ACS Catalysis, Vol. 11, Issue 14 https://doi.org/10.1021/acscatal.1c00507	journal	July 2021
Stable complete methane oxidation over palladium based zeolite catalysts Petrov, Andrey W.; Ferri, Davide; Krumeich, Frank Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04748-x	journal	June 2018
Elucidation of Active Sites for CH ₄ Catalytic Oxidation over Pd/CeO ₂ Via Tailoring Metal–Support Interactions Chen, Shiyuan; Li, Songda; You, Ruiyang ACS Catalysis, Vol. 11, Issue 9 https://doi.org/10.1021/acscatal.1c00839	journal	April 2021
The superior hydrothermal stability of Pd/SSZ-39 in low temperature passive NOx adsorption (PNA) and methane combustion Khivantsev, Konstantin; Jaegers, Nicholas R.; Kovarik, Libor Applied Catalysis B: Environmental, Vol. 280 https://doi.org/10.1016/j.apcatb.2020.119449	journal	January 2021
Confinement of subnanometric PdCo bimetallic oxide clusters in zeolites for methane complete oxidation Tang, Xuan; Lou, Yang; Zhao, Ruiling Chemical Engineering Journal, Vol. 418 https://doi.org/10.1016/j.cej.2021.129398	journal	August 2021
Stable Palladium Oxide Clusters Encapsulated in Silicalite-1 for Complete Methane Oxidation Li, Teng; Beck, Arik; Krumeich, Frank ACS Catalysis, Vol. 11, Issue 12 https://doi.org/10.1021/acscatal.0c04868	journal	June 2021
High Performance of Single‐atom Catalyst Pd ₁ /MgO for Semi‐hydrogenation of Acetylene to Ethylene in Excess Ethylene Guo, Yalin; Qi, Haifeng; Su, Yang ChemNanoMat, Vol. 7, Issue 5 https://doi.org/10.1002/cnma.202100037	journal	March 2021
Selective Hydrogenation over Supported Metal Catalysts: From Nanoparticles to Single Atoms Zhang, Leilei; Zhou, Maoxiang; Wang, Aiqin Chemical Reviews, Vol. 120, Issue 2 https://doi.org/10.1021/acs.chemrev.9b00230	journal	September 2019
Selective hydrogenation of acetylene in the presence of ethylene on zeolite-supported bimetallic catalysts Huang, W.; Mccormick, J.; Lobo, R. Journal of Catalysis, Vol. 246, Issue 1 https://doi.org/10.1016/j.jcat.2006.11.013	journal	February 2007
A Pd@Zeolite Catalyst for Nitroarene Hydrogenation with High Product Selectivity by Sterically Controlled Adsorption in the Zeolite Micropores Zhang, Jian; Wang, Liang; Shao, Yi Angewandte Chemie International Edition, Vol. 56, Issue 33 https://doi.org/10.1002/anie.201703938	journal	May 2017
Passive NOx adsorber: An overview of catalyst performance and reaction chemistry Gu, Yuntao; Epling, William S. Applied Catalysis A: General, Vol. 570 https://doi.org/10.1016/j.apcata.2018.10.036	journal	January 2019
Mechanistic insight in NO trapping on Pd/Chabazite systems for the low-temperature NOx removal from Diesel exhausts Villamaina, Roberta; Iacobone, Umberto; Nova, Isabella Applied Catalysis B: Environmental, Vol. 284 https://doi.org/10.1016/j.apcatb.2020.119724	journal	May 2021
Low Temperature NO Storage of Zeolite Supported Pd for Low Temperature Diesel Engine Emission Control Chen, Hai-Ying; Collier, Jillian E.; Liu, Dongxia Catalysis Letters, Vol. 146, Issue 9 https://doi.org/10.1007/s10562-016-1794-6	journal	June 2016
Low-Temperature Pd/Zeolite Passive NO _x Adsorbers: Structure, Performance, and Adsorption Chemistry Zheng, Yang; Kovarik, Libor; Engelhard, Mark H. The Journal of Physical Chemistry C, Vol. 121, Issue 29 https://doi.org/10.1021/acs.jpcc.7b04312	journal	July 2017
Low temperature NO adsorption over hydrothermally aged Pd/CeO2 for cold start application Ryou, YoungSeok; Lee, Jaeha; Lee, Hyokyoung Catalysis Today, Vol. 307 https://doi.org/10.1016/j.cattod.2017.02.025	journal	June 2018
Onset of High Methane Combustion Rates over Supported Palladium Catalysts: From Isolated Pd Cations to PdO Nanoparticles Cui, Yanran; Zhu Chen, Johnny; Peng, Bo JACS Au, Vol. 1, Issue 4 https://doi.org/10.1021/jacsau.0c00109	journal	March 2021
Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina Peterson, Eric J.; DeLaRiva, Andrew T.; Lin, Sen Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5885	journal	September 2014
Hydrodechlorination and deep hydrogenation on single-palladium-atom-based heterogeneous catalysts Li, Jiacheng; Li, Miao; Li, Jing Applied Catalysis B: Environmental, Vol. 282 https://doi.org/10.1016/j.apcatb.2020.119518	journal	March 2021
Effect of reduction treatments (H2 vs. CO) on the NO adsorption ability and the physicochemical properties of Pd/SSZ-13 passive NOx adsorber for cold start application Ryou, YoungSeok; Lee, Jaeha; Kim, Yongwoo Applied Catalysis A: General, Vol. 569 https://doi.org/10.1016/j.apcata.2018.10.016	journal	January 2019
Deactivation of Pd/Zeolites passive NOx adsorber induced by NO and H2O: Comparative study of Pd/ZSM-5 and Pd/SSZ-13 Lee, Jaeha; Kim, Yongwoo; Hwang, Sungha Catalysis Today, Vol. 360 https://doi.org/10.1016/j.cattod.2020.01.039	journal	January 2021
CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study Goldsmith, Bryan R.; Sanderson, Evan D.; Ouyang, Runhai The Journal of Physical Chemistry C, Vol. 118, Issue 18 https://doi.org/10.1021/jp502201f	journal	April 2014
Evolution of the Structure and Chemical State of Pd Nanoparticles during the in Situ Catalytic Reduction of NO with H ₂ Paredis, Kristof; Ono, Luis K.; Behafarid, Farzad Journal of the American Chemical Society, Vol. 133, Issue 34 https://doi.org/10.1021/ja203709t	journal	August 2011
Dynamic in situ observation of rapid size and shape change of supported Pd nanoparticles during CO/NO cycling Newton, Mark A.; Belver-Coldeira, Carolina; Martínez-Arias, Arturo Nature Materials, Vol. 6, Issue 7 https://doi.org/10.1038/nmat1924	journal	May 2007
Transformation of Bulk Pd to Pd Cations in Small-Pore CHA Zeolites Facilitated by NO Yasumura, Shunsaku; Ide, Hajime; Ueda, Taihei JACS Au, Vol. 1, Issue 2 https://doi.org/10.1021/jacsau.0c00112	journal	January 2021
Deactivation and regeneration studies on Pd-containing medium pore zeolites as passive NOx adsorbers (PNAs) in cold-start applications Bello, Estefanía; Margarit, Vicente J.; Gallego, Eva M. Microporous and Mesoporous Materials, Vol. 302 https://doi.org/10.1016/j.micromeso.2020.110222	journal	August 2020
Activation of Pd/SSZ-13 catalyst by hydrothermal aging treatment in passive NO adsorption performance at low temperature for cold start application Ryou, YoungSeok; Lee, Jaeha; Cho, Sung June Applied Catalysis B: Environmental, Vol. 212 https://doi.org/10.1016/j.apcatb.2017.04.077	journal	September 2017
Effect of various activation conditions on the low temperature NO adsorption performance of Pd/SSZ-13 passive NOx adsorber Ryou, YoungSeok; Lee, Jaeha; Lee, Hyokyoung Catalysis Today, Vol. 320 https://doi.org/10.1016/j.cattod.2017.11.030	journal	January 2019
Tuning Pt-CeO2 interactions by high-temperature vapor-phase synthesis for improved reducibility of lattice oxygen Pereira-Hernández, Xavier Isidro; DeLaRiva, Andrew; Muravev, Valery Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09308-5	journal	March 2019
Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support Kunwar, Deepak; Zhou, Shulan; DeLaRiva, Andrew ACS Catalysis, Vol. 9, Issue 5 https://doi.org/10.1021/acscatal.8b04885	journal	February 2019
Strong metal-support interaction promoted scalable production of thermally stable single-atom catalysts Liu, Kaipeng; Zhao, Xintian; Ren, Guoqing Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14984-9	journal	March 2020
Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction Li, Zhijun; Zhang, Mingyang; Zhang, Lili Nano Research, Vol. 15, Issue 2 https://doi.org/10.1007/s12274-021-3662-y	journal	June 2021
Water–Gas Shift Reaction on Titania-Supported Single-Metal-Atom Catalysts: The Role of Cation (Ti) and Oxygen Vacancy Zhu, Shuang; Wang, Hui; Wan, Kaiwei The Journal of Physical Chemistry C, Vol. 125, Issue 16 https://doi.org/10.1021/acs.jpcc.1c01713	journal	April 2021
Design of Stable Palladium-Based Zeolite Catalysts for Complete Methane Oxidation by Postsynthesis Zeolite Modification Petrov, Andrey W.; Ferri, Davide; Kröcher, Oliver ACS Catalysis, Vol. 9, Issue 3 https://doi.org/10.1021/acscatal.8b04486	journal	January 2019
Modular Pd/Zeolite Composites Demonstrating the Key Role of Support Hydrophobic/Hydrophilic Character in Methane Catalytic Combustion Losch, Pit; Huang, Weixin; Vozniuk, Olena ACS Catalysis, Vol. 9, Issue 6 https://doi.org/10.1021/acscatal.9b00596	journal	April 2019
Function of Pd0n Clusters, Pd2+(oxo-) Ions, and PdO Clusters in the Catalytic Reduction of NO with Methane over Pd/MFI Catalysts Wen, Bin; Sun, Qi; Sachtler, Wolfgang M. H. Journal of Catalysis, Vol. 204, Issue 2 https://doi.org/10.1006/jcat.2001.3401	journal	December 2001
X-ray Absorption Fine Structure Study of the Formation of the Highly Dispersed PdO over ZSM-5 and the Structural Change of Pd Induced by Adsorption of NO Okumura, Kazu; Amano, Jiro; Yasunobu, Naoko The Journal of Physical Chemistry B, Vol. 104, Issue 5 https://doi.org/10.1021/jp993182w	journal	February 2000
Trapping of Metal Atoms and Metal Clusters by Chabazite under Severe Redox Stress Moliner, Manuel; Gabay, Jadeene; Kliewer, Chris ACS Catalysis, Vol. 8, Issue 10 https://doi.org/10.1021/acscatal.8b01717	journal	August 2018
Stabilization of Super Electrophilic Pd ⁺² Cations in Small-Pore SSZ-13 Zeolite Khivantsev, Konstantin; Jaegers, Nicholas R.; Koleva, Iskra Z. The Journal of Physical Chemistry C, Vol. 124, Issue 1 https://doi.org/10.1021/acs.jpcc.9b06760	journal	December 2019
X-ray study of the activation, reduction, and reoxidation of palladium in Y-type zeolites Bergeret, G.; Gallezot, P.; Imelik, B. The Journal of Physical Chemistry, Vol. 85, Issue 4 https://doi.org/10.1021/j150604a020	journal	February 1981
Computational modeling predicts the stability of both Pd ⁺ and Pd ²⁺ ion-exchanged into H-CHA Van der Mynsbrugge, Jeroen; Head-Gordon, Martin; Bell, Alexis T. Journal of Materials Chemistry A, Vol. 9, Issue 4 https://doi.org/10.1039/d0ta11254b	journal	January 2021
Trivalent and monovalent palladium cations in PdNa-X zeolite: electron spin resonance and electron spin echo modulation spectroscopic studies Michalik, J.; Heming, M.; Kevan, Larry The Journal of Physical Chemistry, Vol. 90, Issue 10 https://doi.org/10.1021/j100401a029	journal	May 1986
Identification of Pd3+ ions in zeolite L by temperature programmed reduction and electron paramagnetic resonance spectroscopy Gandhi, Sanjay N.; Lei, Guan -Dao; Sachtler, Wolfgang M. H. Catalysis Letters, Vol. 17, Issue 1-2 https://doi.org/10.1007/bf00763933	journal	January 1993
Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small‐Pore Zeolite SSZ‐13: High‐Capacity and High‐Efficiency Low‐Temperature CO and Passive NO _x Adsorbers Khivantsev, Konstantin; Jaegers, Nicholas R.; Kovarik, Libor Angewandte Chemie, Vol. 130, Issue 51 https://doi.org/10.1002/ange.201809343	journal	November 2018
Assessment of zeolite-based Low temperature NOx adsorbers: Effect of reductants during multiple sequential cold starts Theis, Joseph R.; Ura, Justin A. Catalysis Today, Vol. 360 https://doi.org/10.1016/j.cattod.2020.01.040	journal	January 2021
Structural Interconversion between Agglomerated Palladium Domains and Mononuclear Pd(II) Cations in Chabazite Zeolites Lardinois, Trevor M.; Bates, Jason S.; Lippie, Harrison H. Chemistry of Materials, Vol. 33, Issue 5 https://doi.org/10.1021/acs.chemmater.0c04465	journal	February 2021
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
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy APL Materials, Vol. 1, Issue 1 https://doi.org/10.1063/1.4812323	journal	July 2013
Condition-Dependent Pd Speciation and NO Adsorption in Pd/Zeolites Mandal, Keka; Gu, Yuntao; Westendorff, Karl S. ACS Catalysis, Vol. 10, Issue 21 https://doi.org/10.1021/acscatal.0c03585	journal	September 2020
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Effect of the damping function in dispersion corrected density functional theory Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars Journal of Computational Chemistry, Vol. 32, Issue 7 https://doi.org/10.1002/jcc.21759	journal	March 2011
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional Heyd, Jochen; Scuseria, Gustavo E. The Journal of Chemical Physics, Vol. 121, Issue 3, p. 1187-1192 https://doi.org/10.1063/1.1760074	journal	July 2004
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 124, Issue 21 https://doi.org/10.1063/1.2204597	journal	June 2006
Influence of the exchange screening parameter on the performance of screened hybrid functionals Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F. The Journal of Chemical Physics, Vol. 125, Issue 22 https://doi.org/10.1063/1.2404663	journal	December 2006
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis Ong, Shyue Ping; Richards, William Davidson; Jain, Anubhav Computational Materials Science, Vol. 68 https://doi.org/10.1016/j.commatsci.2012.10.028	journal	February 2013
Surface energies of elemental crystals Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran Scientific Data, Vol. 3, Issue 1 https://doi.org/10.1038/sdata.2016.80	journal	September 2016
Efficient creation and convergence of surface slabs Sun, Wenhao; Ceder, Gerbrand Surface Science, Vol. 617 https://doi.org/10.1016/j.susc.2013.05.016	journal	November 2013
XXV. Zur Frage der Geschwindigkeit des Wachsthums und der Auflösung der Krystallflächen Wulff, G. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 34, Issue 1-6 https://doi.org/10.1524/zkri.1901.34.1.449	journal	January 1901
Chemical Potential of Metal Atoms in Supported Nanoparticles: Dependence upon Particle Size and Support Campbell, Charles T.; Mao, Zhongtian ACS Catalysis, Vol. 7, Issue 12 https://doi.org/10.1021/acscatal.7b03090	journal	November 2017
Predicting a Key Catalyst-Performance Descriptor for Supported Metal Nanoparticles: Metal Chemical Potential Mao, Zhongtian; Campbell, Charles T. ACS Catalysis, Vol. 11, Issue 13 https://doi.org/10.1021/acscatal.1c01870	journal	June 2021
Trends in Adhesion Energies of Metal Nanoparticles on Oxide Surfaces: Understanding Support Effects in Catalysis and Nanotechnology Hemmingson, Stephanie L.; Campbell, Charles T. ACS Nano, Vol. 11, Issue 2 https://doi.org/10.1021/acsnano.6b07502	journal	January 2017
Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements Campbell, Charles T.; Sellers, Jason R. V. Chemical Reviews, Vol. 113, Issue 6 https://doi.org/10.1021/cr300329s	journal	December 2012
Morphology and composition of Pt$z.sbnd;Pd alloy crystallites on SiO2 in reactive atmospheres*1 Chen, M. Journal of Catalysis, Vol. 56, Issue 2 https://doi.org/10.1016/0021-9517(79)90107-6	journal	February 1979
Preparation of Metal/Zeolite Catalysts: Formation of Palladium Aquocomplexes in the Precursor of Palladium-Mordenite Catalysts Carvill, B. T.; Lerner, B. A.; Zhang, Z. C. Journal of Catalysis, Vol. 143, Issue 1 https://doi.org/10.1006/jcat.1993.1277	journal	September 1993
Improving NOx storage and CO oxidation abilities of Pd/SSZ-13 by increasing its hydrophobicity Lee, Jaeha; Kim, Jonghyun; Kim, Yongwoo Applied Catalysis B: Environmental, Vol. 277 https://doi.org/10.1016/j.apcatb.2020.119190	journal	November 2020
Dynamics and Thermodynamics of Pd–PdO Phase Transitions: Effects of Pd Cluster Size and Kinetic Implications for Catalytic Methane Combustion Chin, Ya-Huei (Cathy); García-Diéguez, Mónica; Iglesia, Enrique The Journal of Physical Chemistry C, Vol. 120, Issue 3 https://doi.org/10.1021/acs.jpcc.5b06677	journal	January 2016
Local structure and NO adsorption/desorption property of Pd²⁺ cations at different paired Al sites in CHA zeolite Yasumura, Shunsaku; Ueda, Taihei; Ide, Hajime Physical Chemistry Chemical Physics, Vol. 23, Issue 39 https://doi.org/10.1039/d1cp02668b	journal	January 2021
A study of the chemisorption of nitric oxide on PdY zeolite. Evidence for a room temperature oxidative dissolution of palladium crystallites Che, M.; Dutel, J. F.; Gallezot, P. The Journal of Physical Chemistry, Vol. 80, Issue 21 https://doi.org/10.1021/j100562a011	journal	October 1976
Controlling the Isolation and Pairing of Aluminum in Chabazite Zeolites Using Mixtures of Organic and Inorganic Structure-Directing Agents Di Iorio, John R.; Gounder, Rajamani Chemistry of Materials, Vol. 28, Issue 7 https://doi.org/10.1021/acs.chemmater.6b00181	journal	March 2016
Temperature and Reaction Environment Influence the Nature of Platinum Species Supported on Ceria Li, Xiansheng; Wang, Xing; Sadykov, Ilia I. ACS Catalysis, Vol. 11, Issue 21 https://doi.org/10.1021/acscatal.1c03165	journal	October 2021
Role of Water on the Structure of Palladium for Complete Oxidation of Methane Li, Xiansheng; Wang, Xing; Roy, Kanak ACS Catalysis, Vol. 10, Issue 10 https://doi.org/10.1021/acscatal.0c01069	journal	April 2020
In situ Transmission Electron Microscopy of catalyst sintering DeLaRiva, Andrew T.; Hansen, Thomas W.; Challa, Sivakumar R. Journal of Catalysis, Vol. 308, p. 291-305 https://doi.org/10.1016/j.jcat.2013.08.018	journal	December 2013
Low-temperature Pd/FER NOx adsorbers: Operando FT-IR spectroscopy and performance analysis Castoldi, Lidia; Matarrese, Roberto; Morandi, Sara Catalysis Today, Vol. 360 https://doi.org/10.1016/j.cattod.2020.02.019	journal	January 2021
Particle growth in model supported metal catalysts—I. Theory Wynblatt, P.; Gjostein, N. A. Acta Metallurgica, Vol. 24, Issue 12 https://doi.org/10.1016/0001-6160(76)90034-1	journal	December 1976
The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering Campbell, C. T. Science, Vol. 298, Issue 5594 https://doi.org/10.1126/science.1075094	journal	October 2002
Comparison of Sintering by Particle Migration and Ripening through First-Principles-Based Simulations Dietze, Elisabeth M.; Abild-Pedersen, Frank; Plessow, Philipp N. The Journal of Physical Chemistry C, Vol. 122, Issue 46 https://doi.org/10.1021/acs.jpcc.8b09303	journal	November 2018
Sintering of Au Particles Supported on TiO ₂ (110) during CO Oxidation Yang, F.; Chen, M. S.; Goodman, D. W. The Journal of Physical Chemistry C, Vol. 113, Issue 1 https://doi.org/10.1021/jp807865w	journal	December 2008
Understanding and Controlling the Aggregative Growth of Platinum Nanoparticles in Atomic Layer Deposition: An Avenue to Size Selection Grillo, Fabio; Van Bui, Hao; Moulijn, Jacob A. The Journal of Physical Chemistry Letters, Vol. 8, Issue 5 https://doi.org/10.1021/acs.jpclett.6b02978	journal	February 2017
Relating Rates of Catalyst Sintering to the Disappearance of Individual Nanoparticles during Ostwald Ripening Challa, Sivakumar R.; Delariva, Andrew T.; Hansen, Thomas W. Journal of the American Chemical Society, Vol. 133, Issue 51 https://doi.org/10.1021/ja208324n	journal	December 2011
Reactivity and sintering kinetics of Au/TiO2(110) model catalysts: particle size effects Parker, Stephen C.; Campbell, Charles T. Topics in Catalysis, Vol. 44, Issue 1-2 https://doi.org/10.1007/s11244-007-0274-z	journal	June 2007
First-Principles Kinetic Study for Ostwald Ripening of Late Transition Metals on TiO ₂ (110) Wan, Qixin; Hu, Sulei; Dai, Jiangnan The Journal of Physical Chemistry C, Vol. 123, Issue 2 https://doi.org/10.1021/acs.jpcc.8b08530	journal	December 2018
Quantifying Competitive Degradation Processes in Supported Nanocatalyst Systems Horwath, James P.; Voorhees, Peter W.; Stach, Eric A. Nano Letters, Vol. 21, Issue 12 https://doi.org/10.1021/acs.nanolett.1c01516	journal	June 2021
Sintering of Pt Nanoparticles via Volatile PtO ₂ : Simulation and Comparison with Experiments Plessow, Philipp N.; Abild-Pedersen, Frank ACS Catalysis, Vol. 6, Issue 10 https://doi.org/10.1021/acscatal.6b01646	journal	September 2016
Support Functionalization To Retard Ostwald Ripening in Copper Methanol Synthesis Catalysts van den Berg, Roy; Parmentier, Tanja E.; Elkjær, Christian F. ACS Catalysis, Vol. 5, Issue 7 https://doi.org/10.1021/acscatal.5b00833	journal	June 2015
Dominance of Surface Barriers in Molecular Transport through Silicalite-1 Teixeira, Andrew R.; Chang, Chun-Chih; Coogan, Timothy The Journal of Physical Chemistry C, Vol. 117, Issue 48 https://doi.org/10.1021/jp4089595	journal	November 2013
Selective Adsorption of CO₂ on Zeolites NaK-ZK-4 with Si/Al of 1.8–2.8 Cheung, Ocean; Bacsik, Zoltán; Fil, Nicolas ACS Omega, Vol. 5, Issue 39 https://doi.org/10.1021/acsomega.0c03749	journal	September 2020

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