|High-impact Articles||Photocatalysis||Electrocatalysis||Heterogeneous Catalysis|
Microkinetic Modeling in Electrocatalysis: Applications, Limitations, and Recommendations
for Reliable Mechanistic Insights.
A. Baz*, S. T. Dix*, A. Holewinski, S. Linic, Journal of Catalysis, 2021. * Co-first author
Uncovering electronic and geometric descriptors of chemical activity for metal alloys
and oxides using unsupervised machine learning.
J.A. Esterhuizen, B.R. Goldsmith, S. Linic, Chem Catalysis, 2021.
Stable and selective catalysts for propane dehydrogenation operating at thermodynamic limit.
A. H. Motagamwala, R. Almallahi, J. Wortman, V.O. Igenegbai, S. Linic, Science, 2021.
Design Principles for Efficient and Stable Water Splitting Photoelectrocatalysts
J.R. Hemmerling, A. Mathur, S. Linic, Accounts of Chemical Research, 2021.
In-operando surface-sensitive probing of electrochemical reactions on nanoparticle
electrocatalysts: spectroscopic characterization of reaction intermediates and
elementary steps of oxygen reduction reaction on Pt.
S. T. Dix and S. Linic, Journal of Catalysis, 2021.
Flow and extraction of energy and charge carriers in hybrid plasmonic nanostructures.
S. Linic, S. Chavez, R. Elias, Nature Materials, 2021.
Theory-Guided Machine Learning Finds Geometric Structure-Property Relationships for
Chemisorption on Subsurface Alloys.
J. Esterhuizen, B. Goldsmith and S. Linic, Chem, 6(11), P3100-3117, 2020.
Critical Practices in Rigorously Assessing the Inherent Activity of Nanoparticle Electrocatalysts
S. T. Dix, S. Lu and S. Linic, ACS Catalysis, 10(18), 10735-10741, 2020.
Quantifying Losses and Assessing the Photovoltage Limits in
Metal–Insulator–Semiconductor Water Splitting Systems
J. Hemmerling, J. Quinn and S. Linic, Advanced Energy Materials, 1903354, 2020.
Guidelines for Optimizing the Performance of Metal–Insulator–Semiconductor (MIS)
Photoelectrocatalytic Systems by Tuning the Insulator Thickness
J. Quinn, J. Hemmerling and S. Linic, ACS Energy Letters, 4, 2632-2638, 2019.
Oxidative coupling of methane over hybrid membrane/catalyst active centers:
chemical requirements for prolonged lifetime
V. Igenegbai, R. Almallahi, R. Meyer and S. Linic, ACS Energy Letters, 4, 1465-1470, 2019.
Unearthing the factors governing site specific rates of electronic excitations
in multicomponent plasmonic systems and catalysts
S. Chavez, V. Govind Rao and S. Linic, Faraday Discussions, 214, 441-453, 2019.
Chemical requirement for extracting energetic charge carriers from plasmonic
metal nanoparticles to perform electron-transfer reactions
V. Govind Rao, U. Aslam and S. Linic, JACS, 141, 643-647, 2019.
Recent Developments in Nitrogen Reduction Catalysts: A Virtual Issue
S. Minteer, P. Christopher and S. Linic, ACS Energy Letters, 4, 163-166, 2019.
Modeling the Impact of Metallic Plasmonic Resonators on the Solar Conversion Efficiencies
of Semiconductor Photoelectrodes: When Does Introducing
Buried Plasmonic Nanostructures Make Sense?
P. Hernley and S. Linic, J. Phys. Chem. C, 122, 24279–24286, 2018.
Catalytic conversion of solar to chemical energy on plasmonic metal nanostructures
U. Aslam, V. Govind Rao, S. Chavez and S. Linic, Nature Catalysis, 1, 656-665, 2018.
Maximizing solar water splitting performance by nanoscopic control of the charge carrier fluxes
across semiconductor-electrocatalyst junctions
J. Quinn, J. Hemmerling and S. Linic, ACS Catalysis, 8, 8545–8552, 2018.
Design Principles for Directing Energy and Energetic Charge Flow
in Multicomponent Plasmonic Nanostructures
S. Chavez, U. Aslam and S. Linic, ACS Energy Letters, 3, 1590-1596, 2018.
In search of membrane-catalyst materials for oxidative coupling of methane:
Performance and phase stability studies of gadolinium-doped barium cerate and the impact of Zr doping
V. Igenegbai, R. Meyer and S. Linic, Applied Catalysis B: Environmental, 230, 29–35, 2018.
Addressing challenges and scalability in the synthesis of thin uniform metal shells on
large metal nanoparticle cores: Case study of Ag-Pt core-shell nanocubes
U. Aslam and S. Linic, ACS Applied Materials & Interfaces, 9, 43127, 2017.
Controlling energy flow in multimetallic nanostructures for plasmonic catalysis
U. Aslam, S. Chavez, S. Linic, Nature Nanotechnology, 12, 1000, 2017.
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Engineering the Optical and Catalytic Properties of Co-Catalyst/Semiconductor Photocatalysts
P. Hernley, S. Chavez, J. Quinn, S. Linic, ACS Photonics, 4, 979, 2017.
Pitfalls and best practices in measurements of the electrochemical surface area of
platinum-based nanostructured electro-catalysts
S. Moniri, T. Van Cleve, S. Linic, Journal of Catalysis, 345, 1, 2017.
Nanoscale Engineering of Efficient Oxygen Reduction Electro-Catalysts by Tailoring Local Chemical
Environment of Pt Surface Sites
T. Van Cleve, S. Moniri, G. Belok, K. More, S. Linic, ACS Catalysis, 7, 17, 2017.
Kinetic Trapping of Immiscible Metal Atoms into Bimetallic Nanoparticles through Plasmonic Visible
Light-Mediated Reduction of a Bimetallic Oxide Precursor: Case Study of Ag-Pt Nanoparticle Synthesis
U. Aslam, S. Linic, Chemistry of Materials, 28, 8289, 2016.
Analyzing Relationships between Surface Perturbations and Local Reactivity
H. Xin, S. Linic, J. Chem. Phys., 144, 234704, 2016.
Mechanism of Charge Transfer from Plasmonic Nanostructures to Chemically Attached Materials
C. Boerigter, U. Aslam, S. Linic, ACS Nano, 10, 6108, 2016.
A Viewpoint on Direct Methane Conversion to Ethane and Ethylene Using Oxidative
Coupling on Solid Catalysts
B. Farrell, V. Igenegbai, S. Linic, ACS Catalysis, 6, 4340, 2016.
Evidence and implications of direct charge excitation as the dominant mechanism
in plasmon-mediated photocatalysis
C. Boerigter, R. Campana, M. Morabito, S. Linic, Nature Communications, 7, 10545, 2016.
Oxidative coupling of methane over mixed oxide catalysts designed for solid oxide membrane reactors
B. Farrell, S. Linic, Catalysis Science & Technology, 6, 4370, 2016.
Electrochemical oxygen reduction reaction on Ag nanoparticles of different shapes
T. Van Cleve, E. Gibara, S. Linic, ChemCatChem, 8, 256, 2016
Direct electrochemical oxidation of ethanol on SOFCs: improved carbon tolerance
of Ni anode by alloying
B. Farrell, S. Linic, Applied Catalysis B: Environmental, 183, 386, 2016.
Photo-chemical transformations on plasmonic metal nanoparticles
S. Linic, U. Aslam, C. Boerigter, M. Morabito, Nature Materials, 14, 567, 2015.
Hydrothermal decarboxylation of unsaturated fatty acids over PtSnx/C catalysts
T. Yeh, R. Hockstad, S. Linic, P. Savage, Fuel, 156, 219, 2015.
High performance Ag-Co alloy catalysts for electrochemical oxygen reduction
A. Holewinski, J. Idrobo, S. Linic, Nature Chemistry, 6, 828, 2014.
Deactivation of Pt Catalysts during Hydrothermal Decarboxylation of Butyric Acid
T. Yeh, S. Linic, P. Savage, ACS Sustainable Chem. Eng., 10, 2399, 2014.
Catalytic and Photocatalytic Transformations on Metal Nanoparticles with
Targeted Geometric and Plasmonic Properties
S. Linic, P. Christopher, M. Andiappan, H. Xin, Accounts of Chemical Research, 46, 1890, 2013.
Identifying optimal active sites for heterogeneous catalysis by metal alloys
based on molecular descriptors and electronic structure engineering.
A. Holewinski, H. Xin, E. Nikolla, S. Linic, Current Opinions in Chemical Engineering, 2, 312, 2013.
Tuning selectivity in propylene epoxidation by plasmon mediated photo-switching
of Cu oxidation state
M. Andiappan, J. Zhang, S. Linic, Science, 339, 1590, 2013.
Hydrothermal catalytic production of fuels and chemicals from aquatic
T. Yeh, J. Dickinson, A. Franck, S. Linic, L. Thompson, P. Savage, J Chem Technol Biotechnol, 88, 13, 2013.
Singular Characteristics and Unique Chemical Bond Activation Mechanisms of
Photocatalytic Reactions on Plasmonic Nanostructures
P. Christopher, H. Xin, M. Andiappan, S. Linic, Nature Materials, 11, 1044, 2012.
Elementary Mechanisms in Electrocatalysis: Revisiting the ORR Tafel Slope
A. Holewinski, S. Linic, J. Electrochem. Soc., 159, H864, 2012.
Design of Plasmonic Platforms for Selective Molecular Sensing Based on Surface
Enhanced Raman Spectroscopy
M. Andiappan, P. Christopher, S. Linic, J. Phys. Chem. C, 116, 9824, 2012.
Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy
Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties
H. Xin, A. Holewinski, N. Schweitzer, E. Nikolla, S. Linic, Topics in Catalysis, 55, 376, 2012.
Predictive Structure-Reactivity Models for Rapid Screening of Pt-based Multimetallic
Electrocatalysts for the Oxygen Reduction Reaction
H. Xin, A. Holewinski, S. Linic, ACS Catalysis, 2, 12, 2012. (Selected as cover article)
Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy
S. Linic, P. Christopher, D. B. Ingram, Nature Materials, 10, 911, 2011.
5th most cited in Nature Materials between 2010-2016 per Google Scholar Metrics
Predictive model for the design of plasmonic metal/semiconductor composite
D. B. Ingram, P. Christopher, J. Bauer, S. Linic, ACS Catalysis, 1, 1441, 2011.
Visible light enhanced catalytic oxidation reactions on plasmonic silver nanostructures
P. Christopher, H. Xin, S. Linic, Nature Chemistry, 3, 467, 2011.
13th most cited in Nature Chemistry between 2010-2016 per Google Scholar Metrics
Water splitting on composite plasmonic-metal/semiconductor photo-electrodes:
Evidence for selective plasmon induced formation of charge carriers
D. B. Ingram, S. Linic, JACS, 133, 5202, 2011.
75th most cited in JACS between 2010-2016 per Google Scholar Metrics
High Activity Carbide Supported Catalysts for Water Gas Shift
N. Schweitzer, J. Schaidle, E. Obiefune, X. Pan, S. Linic, L. Thompson, JACS, 133, 2378, 2011.
Overcoming limitation in the design of selective heterogeneous catalysts by
manipulating shape and size of catalytic particles: Epoxidation reactions on silver
S. Linic, P. Christopher, ChemCatChem, 2, 1061, 2010.
Exceptions to the d-band Model of Chemisorption on Metal Surfaces: The Dominant
Role of Repulsion between Adsorbate States and Metal d-states
H. Xin, S. Linic, J. Chem. Phys., 132, 221101, 2010.
Enhancing photo-chemical activity of semiconductor nanoparticles with optically
active Ag nano-structures: Photo-chemistry mediated by Ag surface plasmons
P. Christopher, D. B. Ingram, S. Linic, J. Phys. Chem. C, 114, 9173, 2010.
Establishing relationships between the geometric structure and chemical reactivity
of alloy catalysts based on their measured electronic structure
N. Schweitzer, H. Xin, E. Nikolla, J. T. Miller, S. Linic, Top. Catal., 53, 348, 2010.
Developing Relationships between the Local Chemical Reactivity of Alloy Catalysts
and Physical Characteristics of Constituent Metal Elements
H. Xin, N. Schweitzer, E. Nikolla, S. Linic, J. Chem. Phys., 132, 111101, 2010.
Shape and size specific chemistry of Ag nanostructures in catalytic ethylene
P. Christopher, S. Linic, ChemCatChem, 2, 78, 2010.
Geometric and Electronic Characteristics of Active Sites on TiO2-supported Au
Nano-catalysts: Insights from First Principles
S. Laursen, S. Linic, PCCP, 11, 11006, 2009.
First-Principles Analysis of the Activity of Transition and Noble Metals in the
Direct Utilization of Hydrocarbon Fuels at SOFC Operating Conditions
D. B. Ingram, S. Linic, J. Electrochem. Soc., 156, B1457, 2009.
Direct electrochemical oxidation of hydrocarbon fuels on SOFCs: Improved carbon
tolerance of Ni alloy anodes
E. Nikolla, J. Schwank, S. Linic, J. Electrochem. Soc., 156, B1312, 2009.
Two-Step Mechanism for Low-Temperature Oxidation of Vacancies in Graphene
J. M. Carlsson, F. Hanke, S. Linic, M. Scheffler, Phys. Rev. Lett., 102, 166104, 2009.
Comparative study of the kinetics of methane steam reforming on supported
Ni and Sn/Ni alloy catalysts: the impact of the formation of Ni alloy on chemistry
E. Nikolla, J. W. Schwank, S. Linic, J. Catal., 263, 220, 2009.
Strong chemical interactions between Au and off-stoichiometric defects on TiO2 as
a possible source of chemical activity of nano-sized Au supported on the oxide
S. Laursen, S. Linic, J. Phys. Chem. C, 113, 6689, 2009.
Measuring and Relating the Electronic Structures of Nonmodel Supported Catalytic
Materials to Their Performance
E. Nikolla, J. W. Schwank, S. Linic, JACS, 131, 2747, 2009.
Engineering Selectivity in Heterogeneous Catalysis: Ag Nanowires as Selective
Ethylene Epoxiation Catalysts
P. Christopher, S. Linic, JACS, 130, 11264, 2008.
Hydrocarbon steam reforming on Ni alloys at solid oxide fuel cell
E. Nikolla, J. W. Schwank, S. Linic, Catalysis Today, 136, 243, 2008.
Promotion of the long-term stability of reforming Ni catalysts by
E. Nikolla, J. W. Schwank, S. Linic, J. Catal., 250, 85, 2007.
First principles investigations of electrochemical oxidation of hydrogen at solid
oxide fuel cell operating conditions
J. Mukherjee, S. Linic, J. Electrochem. Soc., 154, B919, 2007.
Controlling carbon surface chemistry by alloying: Carbon tolerant reforming catalyst
E. Nikolla, A. Holewinski, J. Schwank, S. Linic, JACS, 128, 11354, 2006.
Oxidation catalysis by oxide-supported Au nanostructures: The role
of supports and the effect of external conditions
S. Laursen, S. Linic, Phys. Rev. Lett., 97, 026101, 2006.
Synthesis, structure, and reactions of stable oxametallacycles from styrene oxide
M. Enever, S. Linic, K. Uffalussy, J. M. Vohs, M. A. Barteau, J. Phys. Chem. B, 109, 2227, 2005.
Selectivity driven design of bimetallic ethylene epoxidation catalysts
from first principles
S. Linic, J. Jankowiak, M. A. Barteau, J. Catal., 224, 489, 2004.
Ethylene epoxidation on Ag: Identification of the crucial surface intermediate
by experimental and theoretical investigation of its electronic structure
S. Linic, H. Piao, K. Abid, M. A. Barteau, Angew. Chem. Int. Ed., 43, 2918, 2004.
On the mechanism of Cs-promotion in ethylene epoxidation on Ag
S. Linic, M. A. Barteau, JACS, 126, 8086, 2004.
Construction of a reaction coordinate and a microkinetic model for
ethylene epoxidation on silver from DFT calculations and surface science experiments
S. Linic, M. A. Barteau, J. Catal., 214, 200, 2003.
Control of ethylene epoxidation selectivity by surface oxametallacycle
S. Linic, M. A. Barteau, JACS, 125, 4034, 2003.
Synthesis of oxametallacycles from 2-iodoethanol on Ag(111) and the structure
dependence of their reactivity
S. Linic, M. A. Barteau, Langmuir, 18, 5197, 2002.
Formation of a Stable Surface Oxametallacycle that Produces Ethylene Oxide
S. Linic, M. A. Barteau, JACS, 124, 310, 2002.