Decoding reactive structures in dilute alloy catalysts
暂无分享,去创建一个
Steven B. Torrisi | J. Aizenberg | A. Frenkel | B. Kozinsky | P. Sautet | Cameron J. Owen | E. Stach | A. Plonka | J. Weaver | N. Marinkovic | Alexandre C. Foucher | Nicholas Marcella | J. Lim | Ge Yan | J. V. D. van der Hoeven | Hio Tong Ngan
[1] A. Frenkel,et al. Probing Active Sites in CuxPdy Cluster Catalysts by Machine-Learning-Assisted X-ray Absorption Spectroscopy. , 2021, ACS applied materials & interfaces.
[2] S. Noh,et al. First-principle-data-integrated machine-learning approach for high-throughput searching of ternary electrocatalyst toward oxygen reduction reaction , 2021, Chem Catalysis.
[3] J. Aizenberg,et al. Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts , 2021 .
[4] H. Yin,et al. Rhodium Encapsulated within Silicalite‐1 Zeolite as Highly Efficient Catalyst for Nitrous Oxide Decomposition: From Single Atoms to Nanoclusters and Nanoparticles , 2021 .
[5] P. D. de Jongh,et al. Structural Control over Bimetallic Core–Shell Nanorods for Surface-Enhanced Raman Spectroscopy , 2021, ACS omega.
[6] E. Sykes,et al. Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review. , 2020, Chemical reviews.
[7] E. Sykes,et al. Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface , 2020, Proceedings of the National Academy of Sciences.
[8] G. Giannakakis,et al. Single-Atom Alloy Catalysis. , 2020, Chemical reviews.
[9] Kangyin Dong,et al. How renewable energy consumption lower global CO 2 emissions? Evidence from countries with different income levels , 2020 .
[10] J. Aizenberg,et al. Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy. , 2020, Physical chemistry chemical physics : PCCP.
[11] J. Aizenberg,et al. Enhancing catalytic performance of dilute metal alloy nanomaterials , 2020, Communications Chemistry.
[12] B. Kozinsky,et al. Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics. , 2020, Journal of the American Chemical Society.
[13] M. Mavrikakis,et al. How coverage influences thermodynamic and kinetic isotope effects for H2/D2 dissociative adsorption on transition metals , 2020, Catalysis Science & Technology.
[14] J. Aizenberg,et al. Achieving High Selectivity for Alkyne Hydrogenation at High Conversions with Compositionally Optimized PdAu Nanoparticle Catalysts in Raspberry Colloid-Templated SiO2 , 2020, ACS Catalysis.
[15] C. Campbell,et al. Apparent Activation Energies in Complex Reaction Mechanisms: A Simple Relationship via Degrees of Rate Control , 2019, ACS Catalysis.
[16] P. Sautet,et al. Rational design of selective metal catalysts for alcohol amination with ammonia , 2019, Nature Catalysis.
[17] Yi-fan Han,et al. Diffusion mechanisms of metal atoms in Pd Au bimetallic catalyst under CO atmosphere based on ab initio molecular dynamics , 2019, Applied Surface Science.
[18] J. Aizenberg,et al. Dilute Pd/Au Alloy Nanoparticles Embedded in Colloid-Templated Porous SiO2: Stable Au-Based Oxidation Catalysts , 2019, Chemistry of Materials.
[19] B. Kozinsky,et al. Automated Detection and Characterization of Surface Restructuring Events in Bimetallic Catalysts , 2019, The Journal of Physical Chemistry C.
[20] G. Giannakakis,et al. Single-Atom Alloys as a Reductionist Approach to the Rational Design of Heterogeneous Catalysts. , 2018, Accounts of chemical research.
[21] P. Sautet,et al. Dynamics of Surface Alloys: Rearrangement of Pd/Ag(111) Induced by CO and O2 , 2018, The Journal of Physical Chemistry C.
[22] J. Bokhoven,et al. A Perspective on Counting Catalytic Active Sites and Rates of Reaction Using X-Ray Spectroscopy , 2018, Topics in Catalysis.
[23] A. Gellman,et al. Kinetic Fingerprints of Catalysis by Subsurface Hydrogen , 2018, ACS Catalysis.
[24] S. Bare,et al. Synthesis of Colloidal Pd/Au Dilute Alloy Nanocrystals and Their Potential for Selective Catalytic Oxidations. , 2018, Journal of the American Chemical Society.
[25] P. Sautet,et al. Acetylene Adsorption on Pd–Ag Alloys: Evidence for Limited Island Formation and Strong Reverse Segregation from Monte Carlo Simulations , 2018, The Journal of Physical Chemistry C.
[26] Avelino Corma,et al. Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles , 2018, Chemical reviews.
[27] P. Sautet,et al. Evaluating the Risk of C–C Bond Formation during Selective Hydrogenation of Acetylene on Palladium , 2018 .
[28] D. Lu,et al. Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles. , 2017, The journal of physical chemistry letters.
[29] Hyun You Kim,et al. Understanding the atomic-level process of CO-adsorption-driven surface segregation of Pd in (AuPd)147 bimetallic nanoparticles. , 2017, Nanoscale.
[30] Matthew M. Montemore,et al. Catalyst design for enhanced sustainability through fundamental surface chemistry , 2016, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.
[31] V. Puntes,et al. Size-Controlled Synthesis of Sub-10-nanometer Citrate-Stabilized Gold Nanoparticles and Related Optical Properties. , 2016 .
[32] Matthew T. Darby,et al. Controlling Hydrogen Activation, Spillover, and Desorption with Pd-Au Single-Atom Alloys. , 2016, The journal of physical chemistry letters.
[33] Thomas Bligaard,et al. A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals , 2015 .
[34] A. Beale,et al. Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach , 2015 .
[35] Nancy Wilkins-Diehr,et al. XSEDE: Accelerating Scientific Discovery , 2014, Computing in Science & Engineering.
[36] David W. Flaherty,et al. Selective hydrogen production from formic acid decomposition on Pd-Au bimetallic surfaces. , 2014, Journal of the American Chemical Society.
[37] R. Nuzzo,et al. Critical review: Effects of complex interactions on structure and dynamics of supported metal catalysts , 2014 .
[38] G. Henkelman,et al. CO Adsorption-Driven Surface Segregation of Pd on Au/Pd Bimetallic Surfaces: Role of Defects and Effect on CO Oxidation , 2013 .
[39] D. Goodman,et al. Pd-Au bimetallic catalysts: understanding alloy effects from planar models and (supported) nanoparticles. , 2012, Chemical Society reviews.
[40] F. Tao,et al. Action of bimetallic nanocatalysts under reaction conditions and during catalysis: evolution of chemistry from high vacuum conditions to reaction conditions. , 2012, Chemical Society reviews.
[41] Egill Skúlason,et al. A systematic DFT study of hydrogen diffusion on transition metal surfaces , 2012 .
[42] D. Teschner,et al. Alloys in catalysis: phase separation and surface segregation phenomena in response to the reactive environment , 2012 .
[43] B. Weckhuysen. Preface: recent advances in the in-situ characterization of heterogeneous catalysts , 2010 .
[44] D. Goodman,et al. Reaction Kinetics and Polarization-Modulation Infrared Reflection Absorption Spectroscopy (PM-IRAS) Investigation of CO Oxidation over Supported Pd−Au Alloy Catalysts , 2010 .
[45] J. Perdew,et al. Assessing the performance of recent density functionals for bulk solids , 2009, 0903.4037.
[46] G. Somorjai,et al. Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles , 2008, Science.
[47] J. Nørskov,et al. The nature of the active site in heterogeneous metal catalysis. , 2008, Chemical Society reviews.
[48] Gerbrand Ceder,et al. Oxidation energies of transition metal oxides within the GGA+U framework , 2006 .
[49] M Newville,et al. ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. , 2005, Journal of synchrotron radiation.
[50] M. Mavrikakis,et al. Surface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys. , 2005, The journal of physical chemistry. B.
[51] J. Hafner,et al. Adsorption of unsaturated aldehydes on the (111) surface of a Pt-Fe alloy catalyst from first principles , 2003 .
[52] J. Dumesic,et al. Kinetics of heterogeneous catalytic reactions: Analysis of reaction schemes , 2001 .
[53] M. Scheffler,et al. Composition, structure, and stability of RuO2(110) as a function of oxygen pressure , 2001, cond-mat/0107229.
[54] G. Henkelman,et al. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points , 2000 .
[55] W. Dong,et al. Representation of the 6D potential energy surface for a diatomic molecule near a solid surface , 2000 .
[56] G. Henkelman,et al. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives , 1999 .
[57] J. Nørskov,et al. Role of Steps in N 2 Activation on Ru(0001) , 1999 .
[58] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[59] Hafner,et al. Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.
[60] J. Yates. Surface chemistry at metallic step defect sites , 1995 .
[61] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[62] Paxton,et al. High-precision sampling for Brillouin-zone integration in metals. , 1989, Physical review. B, Condensed matter.
[63] J. Yates,et al. Adsorption kinetics and isotopic equilibration of oxygen adsorbed on the Pd(111) surface , 1989 .
[64] H. Monkhorst,et al. SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .
[65] D. Zenkert,et al. Functional Composites and Structures , 2019 .
[66] Melanie Keller,et al. Essentials Of Computational Chemistry Theories And Models , 2016 .
[67] G. Herzberg,et al. Molecular Spectra and Molecular Structure: I. Spectra of Diatomic Molecules , 1944 .
[68] J. Lennard-jones,et al. Molecular Spectra and Molecular Structure , 1929, Nature.