About

John B. Parise is a distinguished Toll Professor in the Department of Geosciences at Stony Brook University. He is a mineralogist and solid-state chemist whose research interests focus on materials synthesis, the structure of liquids, nano-crystalline, and amorphous materials, particularly under extreme conditions relevant to energy and nuclear applications. Parise directs the US-DOE Energy Frontier Research Center - GENESIS, which emphasizes synthesis science and understanding reaction pathways and products through in situ studies at lab-based and synchrotron sources. He also leads the Joint Photon Sciences Institute, supporting the development and application of X-ray methods for materials characterization. His group investigates the atomic arrangements in disordered materials such as liquids, melts, and glassy substances, with a focus on their behavior under high pressure, temperature, and chemical gradients. Parise's work includes studying the structure of molten UO2, a primary nuclear fuel, using advanced high-temperature, atmosphere-controlled levitation and laser heating techniques, and in situ x-ray diffraction at major national laboratories. His research aims to improve models predicting the properties of nuclear materials at extreme conditions, contributing to nuclear safety and energy research. Parise's contributions extend to understanding the structure and dynamics of complex oxide melts and their response to environmental changes, with implications for energy storage, carbon sequestration, and high-energy-density materials.

Research topics

• Chemistry
• Materials science
• Crystallography
• Physics
• Chemical physics
• Nanotechnology
• Condensed matter physics
• Organic chemistry
• Mineralogy
• Chemical engineering
• Stereochemistry
• Combinatorial chemistry

Selected publications

• Highly Anisotropic to Isotropic Nature and Ultralow Out-of-Plane Lattice Thermal Conductivity of Layered PbClF-Type Materials

  Inorganic Chemistry · 2024-02-12 · 1 citations

  articleSenior author

  Materials with an extreme lattice thermal conductivity (κl) are indispensable for thermal energy management applications. Layered materials provide an avenue for designing such functional materials due to their intrinsic bonding heterogeneity. Therefore, a microscopic understanding of the crystal structure, bonding, anharmonic lattice dynamics, and phonon transport properties is critically important for layered materials. Alkaline-earth halofluorides exhibit anisotropy from their layered crystal structure, which is strongly determined by axial bond(s), and it is attributed to the large axial ratio (c/a > 2) for CaBrF, CaIF, and SrIF, in which Br/I acts as a rattler, as evidenced from potential energy curves and phonon density of states. The low axial (c/a) ratio leads to relatively isotropic κl values in the BaXF (X = Cl, Br, I) series. MXF (M = Ca, Sr, Ba) compounds exhibit highly anisotropic (a large phonon transport anisotropy ratio of 10.95 for CaIF) to isotropic (a small phonon transport anisotropy ratio of 1.49 for BaBrF) κl values despite their iso-structure. Moreover, ultralow κl (<1 W/m K) values have been predicted for CaBrF, CaIF, and SrIF in the out-of-plane direction due to weak van der Waals (vdWs) bonding. Overall, this comprehensive study on MXF compounds provides insights into designing low κl layered materials with a large axial ratio by fine-tuning out-of-plane bonding from ionic to vdWs bonding.

  PublisherDOI

• Real-Time Multiscale Imaging of Heterogeneous Multistage Reactions: Insights into Nanoscale TiO₂ Synthesis

  Journal of the American Chemical Society · 2024-04-08 · 6 citations

  article

  Hydrothermal methods are widely used to synthesize functional inorganic materials. The interplay between the reactive species, solution chemistry, and the nanoscale product makes it challenging to control the reaction pathway to achieve a uniform product. Here, we resolve the heterogeneity that arises during hydrothermal synthesis across different length scales. We combine spatially resolved in situ X-ray pair distribution function (PDF) and small-angle X-ray scattering analysis, which are sensitive to structure on the atomic and nanoscale, with a novel time-lapse optical imaging strategy that reveals heterogeneity and phase separations across the entire reaction. For TiO2 synthesis via hydrothermal hydrolysis of TiCl4, we identify multiple cycles of TiO2 formation and separation that contribute to nonuniformity in the polymorphic product. The PDF data show that the characteristics of TiO2 formed during each formation–separation cycle differ, contributing to the ongoing challenge of precisely identifying reaction controls. The imaging strategy pioneered here provides an efficient in situ means to systematically compare how the reaction evolves under different chemical conditions, thereby advancing our understanding of functional inorganic material synthesis.

  PublisherDOI

• Effect of Atomic Mass Contrast on Lattice Thermal Conductivity: A Case Study for Alkali Halides and Alkaline-Earth Chalcogenides

  ACS Applied Electronic Materials · 2023-10-26 · 12 citations

  articleSenior author

  Lattice thermal conductivity (κL) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882–896), anomalous κL trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative κL reveal that low-lying optical phonon modes significantly boost κL alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances κL. Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in κL for both AHs and AECs. To further explore the role of atomic mass contrast in κL, the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in κL. This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to κL and its implications on scattering rates by either enhancing or suppressing κL. These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low κL values, respectively.

  PublisherDOI

• Lattice Instability and Raman Spectra of Bao Under High Pressure: A First Principles Study

  SSRN Electronic Journal · 2022-01-01

  articleOpen accessSenior author
  PublisherDOI

• Lattice instability, anharmonicity and Raman spectra of BaO under high pressure: A first principles study

  Journal of Physics and Chemistry of Solids · 2022-08-19 · 5 citations

  articleOpen accessSenior author
  PublisherOA PDFDOI

• Investigating the high temperature visco-plastic behaviour of polycristalline UO2+x

  HAL (Le Centre pour la Communication Scientifique Directe) · 2022-10-24

  article1st authorCorresponding

  International audience

  Publisher

• Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF

  ACS Applied Materials & Interfaces · 2022 · 28 citations

  • Materials science
  • Condensed matter physics
  • Chemical physics

  materials for thermal energy applications.

  PublisherOA PDFDOI

• Cluster mediated self-hydrolysis of γ-Al(OH) 3 to γ-AlOOH

  Bulletin of the American Physical Society · 2021-03-15

  articleSenior author
  Publisher

• Probing Phase Transitions and Magnetism in Minerals with Neutrons

  Elements · 2021-06-01 · 5 citations

  articleOpen accessSenior author

  The development of sophisticated sample environments to control temperature, pressure, and magnetic field has grown in parallel with neutron source and instrumentation development. High-pressure apparatus, with high- and low-temperature capability, novel designs for diamond cells, and large volume presses are matched with next-generation neutron sources and moderator designs to provide unprecedented neutron beam brightness. Recent developments in sample environments are expanding the pressure–temperature space accessible to neutron scattering experiments. Researchers are using new capabilities and an increased understanding of the fundamentals of structural and magnetic transitions to explore new territories, including hydrogenous minerals (e.g., ices and hydrates) and magnetic structural phase diagrams.

  PublisherOA PDFDOI

• Structural, Vibrational, and Electronic Properties of 1D-TlInTe₂ under High Pressure: A Combined Experimental and Theoretical Study

  Inorganic Chemistry · 2021-06-21 · 15 citations

  articleOpen access

  Analogous to 2D layered transition-metal dichalcogenides, the TlSe family of quasi-one dimensional chain materials with the Zintl-type structure exhibits novel phenomena under high pressure. In the present work, we have systematically investigated the high-pressure behavior of TlInTe2 using Raman spectroscopy, synchrotron X-ray diffraction (XRD), and transport measurements, in combination with first principles crystal structure prediction (CSP) based on evolutionary approach. We found that TlInTe2 undergoes a pressure-induced semiconductor-to-semimetal transition at 4 GPa, followed by a superconducting transition at 5.7 GPa (with Tc = 3.8 K). An unusual giant phonon mode (Ag) softening appears at ∼10–12 GPa as a result of the interaction of optical phonons with the conduction electrons. The high-pressure XRD and Raman spectroscopy studies reveal that there is no structural phase transitions observed up to the maximum pressure achieved (33.5 GPa), which is in agreement with our CSP calculations. In addition, our calculations predict two high-pressure phases above 35 GPa following the phase transition sequence as I4/mcm (B37) → Pbcm → Pm3̅m (B2). Electronic structure calculations suggest Lifshitz (L1 & L2-type) transitions near the superconducting transition pressure. Our findings on TlInTe2 open up a new avenue to study unexplored high-pressure novel phenomena in TlSe family induced by Lifshitz transition (electronic driven), giant phonon softening, and electron–phonon coupling.

  PublisherOA PDFDOI

Recent grants

• DMREF: High-Pressure Synthesis of Novel Oxynitride Photocatalysts Directed by Theory and In Situ Scattering

  NSF · $800k · 2012–2017

• Novel Framework Materials and their Fundamental Properties at High Pressure

  NSF · $541k · 2008–2011

• New Compositions, Structures and Phenomena for Porous Materials at High Pressures

  NSF · $456k · 2005–2008

• Structural and Elastic Properties of Post-Perovskite Related Phases at High PT

  NSF · $346k · 2005–2009

Frequent coauthors

• Lars Ehm

  Stony Brook University

  97 shared

• F. Marc Michel

  Virginia Tech

  86 shared

• Chris J. Benmore

  Arizona State University

  85 shared

• Debasis Banerjee

  Indian Institute of Technology Roorkee

  84 shared

• Sytle M. Antao

  University of Calgary

  77 shared

• Clare P. Grey

  University of Cambridge

  74 shared

• Anna M. Płonka

  Brookhaven National Laboratory

  67 shared

• Hyunsoo Park

  Celltrion (South Korea)

  67 shared

Education

• B.S.

  James Cook University

  1977

• Ph.D.

  James Cook University

  1981