About

Nicola H. Perry is an Associate Professor in the Department of Materials Science and Engineering and the Materials Research Laboratory at the University of Illinois. She serves as the Principal Investigator of the Perry Group, which focuses on advanced materials research related to energy storage and conversion. Her research includes the development and study of bulk and thin film solid electrolytes for lithium-ion batteries, with an emphasis on temperature-insensitive and recyclable battery technologies. The group also investigates cold sintering processes, grain boundary phenomena, and electrochemical impedance spectroscopy (EIS) during pulsed laser deposition (PLD). Professor Perry's work extends to thin film solid electrolytes fabricated by PLD with in-situ EIS, defect chemistry of electrocatalysts for low temperature green hydrogen production, and combinatorial film libraries for analyzing hydrogenation surface exchange kinetics on triple conductors. Her research further explores electro-chemo-mechanical coupling in interface-dominated materials such as mixed conductors and battery electrodes, as well as vertically aligned nanocomposite films and new triple conductors. The group is involved in projects related to perovskite chemical expansion, chemo-mechanical coupling in battery electrodes, and photo-ionics, contributing to various Energy Frontier Research Centers (EFRCs) and the Department of Energy's initiatives. Professor Perry's leadership in materials science research is demonstrated through her mentorship of numerous graduate and undergraduate students, postdoctoral researchers, and collaborations with institutions such as the Institute of Carbon Neutral Energy Research (I2CNER) and international universities.

Research topics

• Materials science
• Physical chemistry
• Chemistry
• Computer Science
• Thermodynamics
• Chemical physics
• Nanotechnology
• Engineering
• Engineering physics
• Physics
• Mechanical engineering
• Composite material
• Crystallography
• Metallurgy
• Electrical engineering
• Chemical engineering

Selected publications

• Electro-chemo-mechanically Driven Ni Exsolution from (Pr,Ce,Ni)O _2−δ : Controlled Nucleation Density and Enhanced Electrode Kinetics

  ACS Applied Materials & Interfaces · 2026-05-12

  articleSenior authorCorresponding

  In situ exsolution of metal nanoparticles is a promising strategy to prepare electrocatalysts with enhanced activity and resistance to agglomeration for efficient chemical transformations and energy conversion. Achieving a high nucleation density of nanoparticles under mild conditions and understanding how to tailor the process is important for performance of these electrodes in electrochemical cells. Here, we demonstrate facile exsolution of Ni nanoparticles using fluorite-structured (Pr,Ce)O2−δ as the support oxide, driven by electrochemical potential and aided by the metastability of Ni in the solid solution (elastic driving force). We prepare single-phase oriented thin films of (Pr,Ce,Ni)O2−δ (NPCO) on (Zr,Y)O2−δ (YSZ) substrates by pulsed laser deposition. With the aid of a high-throughput electrochemical cell that provides a lateral gradient in Nernst voltage, we apply in situ near-ambient pressure synchrotron X-ray photoelectron spectroscopy and ex situ atomic force microscopy to investigate the impact of electrochemical potential on Ni nucleation density. We find that metallic Ni can be successfully exsolved at 550 °C upon cathodic biasing in 20 mTorr O2, and its nucleation density increases with increasing electrochemical driving force/decreasing oxygen chemical potential. We further evaluate the electrochemical performance under highly reducing (fuel electrode) conditions by electrochemical impedance spectroscopy. With the exsolved Ni nanoparticles, the surface exchange coefficient of the NPCO is found to be ∼4× higher than for PCO without exsolution. This work confirms mixed conducting fluorites as beneficial host lattices for facile transition-metal exsolution and suggests the possibility for constructing an all ceria-based electrochemical cell with PCO serving as both the cathode and the anode.

  PublisherDOI

• Mechano-chemical understanding of NaSICON for aqueous redox-flow batteries

  MRS Communications · 2026-03-31

  article
  PublisherDOI

• Frontiers of defect, transport, and reaction theories in complex and driven solid-state ionic materials

  MRS Bulletin · 2026-05-08

  articleOpen accessSenior author

  Abstract Advances in solid-state ionic materials theory, synthesis, characterization, and simulation over the past century have enabled development of quantitative frameworks and descriptors to describe defect populations, transport, and interfacial reactions that approximate observable behavior in dilute, crystalline compositions near equilibrium. Increasing development of nondilute, disordered, or extended-defect-laden materials, and new operating conditions further from equilibrium, particularly in emerging energy, manufacturing, and information contexts, motivate development of new theoretical frameworks. This article provides an overview of computational and experimental advances in understanding defect-mediated behavior in ionic materials for batteries, fuel/electrolysis cells, sensors, thermochemical reactors, artificial synapses, ionic nanomanufacturing, and related technologies. Topics include: (1) point defects in nondilute and complex solid-solution systems, (2) point-defect populations and transport in and near extended defects, (3) defect equilibria and mobility in the excited state, (4) developing theories for ionic transport, including high-field effects and dynamic descriptors, and (5) emerging descriptors for surface reaction kinetics at intermediate-high temperatures. Graphical Abstract

  PublisherDOI

• Low Redox Chemical Expansivity in Orthorhombic Perovskites La _0.8 Ca _0.2 FeO _3-δ and Y _0.8 Ca _0.2 FeO _3-δ : Relationship to Charge Distribution and Bond Angles

  Chemistry of Materials · 2026-03-31

  articleSenior authorCorresponding

  Chemo-mechanical coupling is an important consideration for the stable operation of mixed ionic/electronic conductors. Redox strains should be minimized while maintaining high redox activity. Past work demonstrated the benefits of locating redox on O rather than on cations to lower chemical expansivities, but covalency may be preferable for conductivity and redox activity. Here, we investigate how B–O bond charge distribution in ABO3 perovskites relates to redox coefficients of chemical expansion (CCEs) and the underlying composition and structure. Y0.8Ca0.2FeO3 (YCF) and La0.8Ca0.2FeO3 (LCF) were prepared as comparators with identical orthorhombic space groups, A-site electronegativities, and B-site cations but different A-site radii, B–O–B bond angles, and bond lengths, confirmed by synchrotron XRD. Isothermal redox strains and corresponding oxygen stoichiometry changes were evaluated by dilatometry and thermogravimetric analysis, respectively, during steps in oxygen partial pressure (6 pO2 points between 10–4 and 1 atm; 4 isotherms between 600 and 750 °C). O K-edge and Fe L-edge synchrotron XAS were measured for reduced and oxidized samples of each composition to evaluate the degree of hybridization and location of redox. While it was expected that higher B–O–B angles would be associated with greater hybridization, the opposite relationship was found and attributed to the polarizability difference of the A-site cations. YCF exhibited lower Fe–O–Fe angles, greater Fe–O hybridization, and lower redox CCEs (0.010–0.014 vs 0.016–0.020 for LCF). Conductivity activation energy analysis proved to be consistent with large-polaron hopping (partial charge localization) and the hybridization observed by XAS. This work demonstrates that distorted, partially covalent perovskites can exhibit low redox CCEs to improve structural stability in electrochemical devices.

  PublisherDOI

• Task Sharing of Proton Incorporation in Vertically Aligned Nanocomposite Triple Conductors: Growth, Structure, and Surface Exchange Kinetics

  ACS Applied Materials & Interfaces · 2026-05-12

  articleSenior author

  ) and polarization resistances were evaluated by electrical and optical relaxations and impedance spectroscopy of VAN-incorporated protonic ceramic electrochemical cells, respectively, at 400-500 °C, demonstrating values comparable to some of the best-known triple and mixed conductors.

  PublisherDOI

• Predicting Interface Structure using the Minima Hopping Method with a Machine Learning Interatomic Potential

  ArXiv.org · 2026-01-24

  articleOpen access

  Predicting atomic-scale interfacial structures remains a central challenge in materials science due to their structural complexity and the difficulty of direct comparison between computational and experimental results. In this study, we present an efficient approach for interface structure prediction that integrates the Minima Hopping Method (MHM) with the state-of-the-art machine learning interatomic potential (MLIP), Allegro. We demonstrate that the MHM-Allegro approach provides a robust and computationally efficient route for predicting interfacial structures in the benchmark system SrTiO3 Sigma 3 (112)[110] tilt grain boundaries (GBs), consistently identifying the lowest-energy configurations across different stoichiometries. Furthermore, we introduce a strategy for constructing defect-representative training datasets without explicitly including defective configurations, achieving excellent extrapolative performance in interface predictions. The predictive capability is further validated through direct comparison with experimental observations of the SrTiO3 Sigma 5 (310)[001] GB, where the predicted atomic configurations show strong agreement with experimental measurements. This work represents a significant step toward bridging the gap between ab initio predictions and experimentally observed interfacial structures.

  PublisherOA PDF

• Predicting Interface Structure using the Minima Hopping Method with a Machine Learning Interatomic Potential

  arXiv (Cornell University) · 2026-01-24

  preprintOpen access

  Predicting atomic-scale interfacial structures remains a central challenge in materials science due to their structural complexity and the difficulty of direct comparison between computational and experimental results. In this study, we present an efficient approach for interface structure prediction that integrates the Minima Hopping Method (MHM) with the state-of-the-art machine learning interatomic potential (MLIP), Allegro. We demonstrate that the MHM-Allegro approach provides a robust and computationally efficient route for predicting interfacial structures in the benchmark system SrTiO3 Sigma 3 (112)[110] tilt grain boundaries (GBs), consistently identifying the lowest-energy configurations across different stoichiometries. Furthermore, we introduce a strategy for constructing defect-representative training datasets without explicitly including defective configurations, achieving excellent extrapolative performance in interface predictions. The predictive capability is further validated through direct comparison with experimental observations of the SrTiO3 Sigma 5 (310)[001] GB, where the predicted atomic configurations show strong agreement with experimental measurements. This work represents a significant step toward bridging the gap between ab initio predictions and experimentally observed interfacial structures.

  PublisherDOI

• Roadmap on advanced and / real-time characterisation of solid state materials and devices for energy applications

  Journal of Physics Energy · 2026-05-07

  articleOpen access

  Abstract A strong societal and political drive is motivating the development and optimization of novel energy 
conversion and storage systems for decarbonization. The successful implementation of solid state devices 
such as fuel cells and secondary batteries depends, however, on achieving ambitious targets in 
terms of performance, reliability and cost competitiveness. Research and technology are 
addressing these needs through a holistic approach including exploration of new materials and 
nanoarchitectures, as well as system engineering. These significant efforts require the support of 
appropriate characterization tools capable of assessing nanometer-scale phenomena such as 
concentration profiles of ionic and electronic charges, local chemical compositions and their 
evolution over time across interfaces. 
 
This roadmap provides an overview of selected advanced characterization techniques for energy 
materials and devices. Specific focus is put on in situ/operando methods for probing electrochemical phenomena in real-time under realistic working conditions. Experts in the field provide an extensive review of the current state of the art in 2025 and the current and future challenges for the characterization of local chemistry and kinetics in the bulk of the material, in nanoarchitectures (e.g. thin films) and at the interfaces (e.g. grain boundaries, phase contacts, solid/liquid and solid/gas interfaces) . The aim is to provide a detailed guide to the techniques, describing opportunities and bottlenecks for their practical deployment and examples of successful 
applications. 
This roadmap provides an overview of selected advanced characterization techniques for energy materials and devices. Specific focus is put on in situ/operando methods for probing electrochemical phenomena in real time under realistic working conditions. Experts in the field provide an extensive review of the current state of the art in 2024 and the current and future challenges for the characterization of local chemistry and kinetics in the bulk of the material, in nanoarchitectures (e.g. thin films) and at the interfaces (e.g. grain boundaries, phase contacts, solid/liquid and solid/gas interfaces) . The aim is to provide a detailed guide to the techniques, describing opportunities and bottlenecks for their practical deployment and examples of successful applications.

  PublisherDOI

• Life Cycle Assessment of Direct Recycling for Cathode Active Materials

  2025-06-18

  article

  As transportation becomes further electrified, lithium-ion batteries are only increased in demand. Thus, to maintain the growth of transportation electrification, recycling of batteries is of great significance. Cathode active materials are the most valuable components in batteries and direct recycling has arisen as an potentially valuable recycling method for recovering cathode active materials. However, there is no comprehensive comparison of direct recycling methods to guide industrial applications. This research uses life cycle assessment to evaluate the environmental impacts of different direct recycling methods for cathode active materials based on the ReCiPe method and standardized processes. As a result, the most environmentally friendly direct recycling method for each cathode active material was found, which can help the further development of transportation electrification.

  PublisherDOI

• Revealing Phase Heterogeneity in Vertically Aligned Nanocomposites via Plan-View Electron Energy Loss Spectroscopy

  Microscopy and Microanalysis · 2025-07-01 · 1 citations

  article
  PublisherDOI

Recent grants

• CAREER: Dynamic Point Defect Architectonics - Uncovering Crystal Chemical Design Rules for Tailored Chemical Expansion

  NSF · $613k · 2020–2027

Frequent coauthors

• Harry L. Tuller

  IIT@MIT

  83 shared

• Sean R. Bishop

  Sandia National Laboratories California

  62 shared

• Kazunari Sasaki

  Kyushu University

  34 shared

• George F. Harrington

  33 shared

• Elif Ertekin

  University of Illinois Urbana-Champaign

  31 shared

• Thomas O. Mason

  Technical University of Denmark

  22 shared

• Ting Chen

  22 shared

• Dario Marrocchelli

  Massachusetts Institute of Technology

  20 shared

Labs

• Perry GroupPI

  Materials Science & Engineering

Awards & honors

• NSF CAREER Award
• DOE Early Career Award
• JSPS Kakehni Awards
• UIUC Dean's Award for Excellence in Research
• IUMRS Award for Encouragement of Research