Publications

2025

• Fan, Y. Y. Yan, O. Nwokonkwo, D. Rivera, W. Pan, E. Chen, J. Kim, J. SImon, M. Saffer-Meng, X. Wang, C. Muhich, L. Winter, “Tuning Nitrate Reduction Reaction Selectivity via Selective Adsorption in Electrified Membranes” Nature Chemical Engineering, 2025, 2(379-390)
•  

2024

• Hong, K., J. Rivera, J. Donoso, B. Shin, H. Jacobs, B. Jun Cha, K. Heck, W. Elias, P. Westerhoff, Y. Han, C. Muhich, M. Wong “Nickel Enhances InPd-Catalyzed Nitrate Reduction Activity and N2 Selectivity” accepted in ACS ES&T Engineering
• Wilson, S, Stechel, C. Muhich(*), “Extracting Metal Oxide Redox Thermodynamics from TGA Measurements Requires Moving Beyond the Linearized Van ‘t Hoff Approach”, in press in Frontiers in Energy Research
• Tran, J., K. Warren, S. Wilson, C. Muhich, C. Musgrave, A. Weimer, “An Updated Review and Perspective on Efficient Hydrogen Generation via Solar Thermal Water Splitting”, WIREs Energy and Environment, 2024, 13(4), e538
• Wilson, S., Muhich, “A Bayesian Method for Selecting Data Points for Thermodynamic Modeling of Off-Stoichiometric Metal Oxides”, in press in Journal of Materials Chemistry A
• Tian, X., J. Zhang, K. Rigby, Rivera, G. Gao, Y. Liu, Y. Zhu, T. Zhai, E. Stavitski, C. Muhich, J. Kim, Q. Li, J. Lou, “Tuning Local Atomic Structures in MoS2 Based Catalysis for Electrochemical Nitrate Reduction”, in press in Small
• Nwokonkwo, O. & C. Muhich (*), “Mechanistic Insights into the Selectivity for Arsenic over Phosphate Adsorption by Fe3+-cross-linked Chitosan using DFT” accepted in Journal of Physical Chemistry B

2023

• Gupta, S., D. Rivera, M. Shaffer, A. Chismar, C. Muhich (*), “Understanding the Selectivity of Electrocatalytic Nitrate Reduction on Transition Metal Single Atoms Dispersed in Cu Surface” accepted in ACS Energy Science & Technology Engineering,
• Nwokonkwo, O., Pelletier, M. Broud , C. Muhich (*), “Understanding the selective adsorption of arsenic oxyanions over phosphate by Fe(III)-crosslinked chitosan using DFT” accepted in Journal of Physical Chemistry A
• Wu, X.; M. Nazemi, Gupta, A. Chismar, K. Hong, H. Jacobs, W. Zhang, K. Rigby, T. Hedtke, Q. Wang, E. Stavitski, M. Wong, C. Muhich, J. Kim, “Contrasting Capability of Single Atom Palladium for Thermocatalytic versus Electrocatalytic Nitrate Reduction Reaction”,  ACS Catalysis, 2023, 13(10),6804-6812
• Rivera, D., C. Muhich (*), “Preventing H2S Poisoning of Dense Pd Membranes for H2 Purification Using an Electric-Field: an Ab initio Study ”, in press Surface Science
• Gupta, S., A. Chismar, C. Muhich (*), “Understanding the Effect of Single Atom Cationic Defect Sites in Al2O3 (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab-Initio Study”, in press Journal of Physical Chemistry
• Hashimoto, J., A. Bayon, O. Tamburro, C. Muhich(*), “Thermodynamic and Structural Effects of Fe Doping in Magnesium Manganese Oxides for Thermochemical Energy Storage”, in press Energy and Fuels
• Loutzenhiser, P., R. Bader, T. Cooper, P. Furler, M. Galvez, M. Gigantino, P. Good, S. Haussener, I. Hischier, C. Muhich, J. Petrasch, J. Scheffe, “Recognizing the Life and Scientific Contributions of a Pioneer in Solar Thermochemistry: Prof. Aldo Steinfeld”, Solar Energy, 2023, 252(401-402)
• Wilson, S., E. Stechel(*), C. Muhich(*), “Overcoming significant challenges in extracting off-stoichiometric thermodynamics using the compound energy formalism through complementary use of experimental and first principles data: A case study of Ba1-xSrxFeO3-δ” Solid State Ionics , 2023,  390(116115)

2022

• Wilson, S., C. Muhich(*), “Fast Identification, and Construction of Adsorbate-Adsorbent Geometries for High Throughput Computational Applications: The Automatic Surface Adsorbate Structure Provider (ASAP) Algorithm” Computational and Theoretical Chemistry , 2022,  1216(113830)
• Chen, F.Y., Z.Y. Wu, S. Gupta, D. Rivera, S. V. Lambeets, S. Pecaut, J. Kim, P. Zhu, Y. Z. Finfrock, G. King, G. Gao, W. Xu, D. Cullen, H. Zhou, Y. Han, D. Pera (*), C. Muhich(*), H. Wang(*), “ Efficient conversion of low-concentration nitrate sources into ammonia on Ru dispersed Cu nanowire electrocatalyst” Nature Nanotechnology, 2022, 17 (759-767)
• Gupta, S, N.A. Nguyen, C. Muhich(*), “Surface Water H-bonding Network is Key Controller of Selenate Adsorption on [012] α-Alumina: An Ab-initio Study”, Journal of Colloids and Interfaces, 2022,617(136-146)
• Li, S., V. Wheeler, A. Kumar, M. Venkataraman, C. Muhich, Y. Hao, W. Lipinski, “Thermodynamic Guiding Principles of Designing Efficient High-Temperature Redox Materials for Solar Thermochemical Fuel Production”, Energy Technology, 2022, In press

2021

• Bayon, A., J. Hashimoto, C. Muhich(*), “Chapter Two: Fundamentals of Solar Thermochemical Gas Splitting Materials” in “Advances in Chemical Engineering, W. Lipinski, Editor, 2021, Academic Press, p. 55-90.
• Chu, C, D. Huang, S. Gupta, S. Weong, J. Niu, E. Stavitski, C. Muhich(*), J. Kim(*), “Neighboring Pd Single Atoms Surpass Isolated Single Atoms for Selective Hydrodehalogenation Catalysis,” Nature Communications, 2021, in press
• Shen, Y., B. Shan, C. Muhich, S. Gupta, H. Li, P. Hays, Y. Qin, S. Vijay, J. Winarta, B. Mu, S. Tongay, “Electronic and Catalytic Engineering in Two-dimensional vdW Metal-organic Frameworks through Alloying” Applied Physics Reviews, 2021, 8, 031411
• Gonzales, J., J. Hu, C. Muhich, J. Oswald, N. Newman, “First Principles Study of Phase Stability in Ba-Based Tantalate Complex Double Perovskites”, Applied Physics Letters, 2021, 111, 052901
• Bayon, A, A. de la Calle, E. Stechel, C. Muhich*, “Operational Limits of Redox Metal Oxides Performing Thermochemical Water Splitting”, Energy Technology, 2021, in press
• Hu, J., Z. Wilde, P. Peralta, C. Muhich, J. Oswald, “Predicting Hugoniot Equation of State in Erythritol with Ab-initio and Reactive Molecular Dynamics”, Journal of Applied Physics, 2021,129, 195106
• Noneman, K., C. Muhich, K. Ausman, M. Henry, E. Jankowski(*), “Molecular Simulations for Understanding the Stabilization of Fullerenes in Water”, Journal of Computational Science Education, 2021, 12(1), 39-48.
• Wilson, S., E. Stechel, I. Ermanoski, C. Muhich, (*). “Doped ALPO-5 Zeolites as Promising O2 Sorption Pump Materials: A Density Functional Theory Study”, Journal of Physical Chemistry C, 2021, 125(2), 1269-1281

2020

• Rudel, H., M.K. Lane, C. Muhich, J. Zimmerman, “Toward Informed Design of Nanomaterials: A Mechanistic Analysis of Structure-Property-Function Relationships for Faceted Nanoscale Metal Oxides”, ACS Nano, 14,12, 16472-16501
• Yang, Y., C. Muhich, M. Green, “Kinetics and Mechanisms of Polycondensation Reactions between Aryl Halides and Bisphenol A”, Polymer Chemistry, 2020, in press
• Pincus, L., H. Rudel, P. Petrovic, S. Gupta, P. Westerhoff, C. Muhich, J. Zimmerman, “Exploring the Mechanism of Selectivity for Environmentally Significant Oxo-anion Removal During Water Treatment: a Review of Common Competing Oxo-anions and Tools for Quantifying Selective Adsorption”, Environmental Science & Technology, 2020 in press
• Garg, P., C. Muhich, L.D. Cooley, T. Bieler, K. Solanki, “Possible Role of Grain-Boundary and Dislocation Structure of the Magnetic-Flux Trapping Behavior of Niobium: A First Principles Study”, Physical Review B, 2020, 101, 184102
• Chu, C. Q. Zhu, Z. Pan, S. Gupta, D. Huang, Y. Du, S. Weon, Y. Wu, C. Muhich, E. Stavitski, K. Domen, J.H. Kim, “Spatially Separating Redox Centers on 2D Carbon Nitride with Cobalt Single Atom for Photocatalytic H2O2 Production” Proceedings of the National Acadamy of Science, 2020, 117(12), 6376-6382
• Arifin, D, A. Ambrosini, S.Wilson, B. Mandal, C. Muhich, A. Weimer, “Investigation of Zr, Gd/Zr, and Pr/Zr – Doped Ceria for the Redox Splitting of Water” International Journal of Hydrogen Energy, 2020, 45, 160-174

2019

• Lounsbury, A., R. Wang, D. Plata, N. Billyer, C. Muhich, K. Kanie, T. Sugimoto, D. Peak, J. Zimmerman, “Preferential Adsorption of Selenium Oxyanions onto {110} and {012} Nano-hematite Facets” Journal of Colloid & Interface Science. 2019, 537, 465-474

2018

• Muhich, C.*, S. Blaser, M. Hoe, A. Steinfeld, “Comparing the Solar-to-Fuel Energy Conversion Efficiency of Ceria and Perovskite Based Thermochemical Redox Cycles for Splitting H2O and CO2”, International Journal of Hydrogen Energy. 2018, 43(41), 18814-18831
• Muhich, C.*, M. Hoes, A. Steinfeld, “Mimicking Tetravalent Dopants in Ceria using Paired Charge Compensating Dopants”, Acta Materialia. 2018, 144, 728-737

2017

• Hoes, C. Muhich*, R. Jacot, G. Patzke, A. Steinfeld, “Thermodynamic of Paired Charge-Compensating Doped Ceria with Superior Redox Performance for Solar Thermochemical Splitting of H2O and CO2” Journal of Materials Chemistry A. 2017, 5 (36), 19476-19484
• Muhich, C.*, A. Steinfeld, “Principles of Doping Ceria for the Solar Thermochemical Redox Splitting of H2O and CO2”, Journal of Materials Chemistry A. 2017, 5 (30), 15578-15590

• Muhich, C*. “Re-evaluating CeO2 Expansion upon Reduction: Non-Counterpoised Forces, Not Ionic Radius Effects, are the Cause”, Journal of Physical Chemistry C. 2017, 121 (14), 8052-8059
• Alghannam, A., C. Muhich*, C. Musgrave, “Adatom Surface Diffusion of Catalytic Metals on the Anatase TiO2 (101) Surface”, Physical Chemistry Chemical Physics. 2017, 19 (4541-4552)

2016

• Ehrhart, B., C. Muhich, I. Al-Shankiti, A. Weimer “System Efficiency of Two-Step Solid Oxide Solar Thermochemical Hydrogen Production, Part 3: Various Methods for Achieving Low Oxygen Partial Pressures in the Reduction Reaction”, International Journal of Hydrogen Energy. 2016, 41(44), 19904-11914
• Ehrhart, B., C. Muhich, I. Al-Shankiti, A. Weimer “System Efficiency of Two-Step Solid Oxide Solar Thermochemical Hydrogen Production, Part 2: Impact of Gas Heat Recuperation and Separation”, International Journal of Hydrogen Energy, 2016, 41(44), 19894-11903
• Ehrhart, B., C. Muhich, I. Al-Shankiti, A. Weimer “System Efficiency of Two-Step Solid Oxide Solar Thermochemical Hydrogen Production, Part 1: Thermodynamic Model and Impact of Oxidation Kinetics”, International Journal of Hydrogen Energy, 2016, 41(44), 19881-11893
• Bartel, C., C. Muhich, A. Weimer, C. Musgrave “A First Principles Study of the Initial Hydrolysis of Aluminum Nitride”, ACS Applied Materials and Interfaces. 2016, 8(28), 18550-18559
• Muhich, C., B. Ehrhart, I. Al-Shankiti, B. Ward, C. Musgrave, A. Weimer, “A Review and Perspective of Efficient H2 Generation via Solar Thermal Water Splitting”, Wiley Interdisciplinary Reviews Energy and Environment. 2016, 5(3), 261-287 (Invited)
• Muhich, C., V. Aston, R. Tottier, A. Weimer, C. Musgrave, “A First Principles Analysis of Cation Diffusion in Mixed Metal Ferrite Spinels”, Chemistry of Materials. 2016, 28(1), 214-226

2015

• Muhich, C., J. Qiu, A. Holder, Y. Wu, A. Weimer, W. D. Wei, L. McElwee-White, C. Musgrave, “Solvent Control of Surface Plasmon Mediated Chemical Deposition of Au Nanoparticles from Alkylgold Phosphine Complexes”, ACS Applied Materials and Interfaces. 2015, 7(24), 13384-13394
• Lubers, A., C. Muhich, K. Anderson, A. Weimer, “Mechanistic Studies for Depositing highly dispersed Pt Nanoparticles on Carbon by Atomic Layer Deposition (ALD)”, Journal of Nanoparticle Research. 2015, 17(4), 179
• Muhich, C., B. Ehrhart, V. Witte, S. Miller, E. Coker, C. Musgrave, A. Weimer. “Predicting the Solar Thermochemical Water Splitting Ability and Reaction Mechanism of Metal Oxides: A Case Study of the Hercynite Family of Water Splitting Cycles”, Energy & Environmental Science. 2015, 8(12), 3687-3699
• Muhich, C., K. Weston, D. Arifin, A. McDaniel, C. Musgrave, A. Weimer, “Extracting Kinetic Information from Complex Gas-Solid Reaction Data”, Industrial & Engineering Chemistry Research. 2015, 54(16), 4113-4122

2014

• Muhich, C., J. Westcott, A. Weimer, C. Musgrave, “Increasing the Photocatalytic Activity of TiO2 through B, C and N Doping”, Journal of Physical Chemistry C. 2014, 118 (47), 27415-27427
• Deml, A., V. Stevanovic, C. Muhich, C. Musgrave, R. O’Hayre, “Oxide Enthalpy of Formation and Band Gap Energy as Accurate Descriptors of Oxygen Vacancy Formation Energetics”, Energy and Environmental Science. 2014, 7 (6), 1669-2004

2013

• Muhich, C., B. Evanko, K. Weston, P. Lichty, X. Liang, J. Martinek, C. Musgrave, A. Weimer, “Efficient Generation of H2 by Splitting Water with an Isothermal Redox Cycle”, Science. 2013, 341 (6145), 540-542
• Muhich, C., J. Westcott, T. Morris, A. Weimer, C. Musgrave, “The Effect of N and B Doping on Graphene and on the Adsorption and Migration Behavior of Pt Atoms”, Journal of Physical Chemistry C. 2013, 117 (20), 10523-10535
• Lichty, P., X. Liang, C. Muhich, B. Evanko, C. Bingham, A. Weimer, “Atomic Layer Deposited Thin Film Metal Oxides for Fuel Production in Solar Cavity Reactor”, International Journal of Hydrogen Energy. 2012, 37 (22), 16888-16894

2012

• Zhou, Y., Muhich, C. Musgrave, B. Neltner, A. Weimer, “Growth of Pt Particles on the Anatase TiO2 (101) Surface”, Journal of Physical Chemistry C. 2012, 116 (22), 12114-12123
• Muhich, C., Y. Zhou, A. Holder, C. Musgrave, A. Weimer, “Effect of Surface Deposited Pt on the Photoactivity of TiO2”, Journal of Physical Chemistry C. 2012, 116 (18), 10138-10149

* Denotes C. Muhich as corresponding author