About

Justin M. Notestein is the Chair of Chemical and Biological Engineering and a Professor of Chemical and Biological Engineering at Northwestern University. His research focuses on catalysis science, energy, materials, and nanoscience, with an emphasis on developing novel designs and syntheses of catalysts, adsorbents, and functional materials aimed at more sustainable chemical and fuel production routes. Notestein's work involves synthesizing materials by modifying particle or MOF surfaces with organic functionalities, inorganic complexes, or ultra-thin oxide layers to control active sites that facilitate complex chemical transformations. His research often collaborates with industry and national laboratories, exploring catalytic processes such as selective oxidation, CO2 photoreduction, biomass conversions, and other reactions relevant to energy and environmental sustainability. Notestein's overarching goal is to design systems of active sites capable of efficient, complex transformations that mimic biological pathways, advancing the understanding and application of heterogeneous catalysis.

Research topics

• Machine Learning
• Nanotechnology
• Chemistry
• Materials science
• Artificial Intelligence
• Computer Science
• Engineering
• Physics
• Systems engineering
• Inorganic chemistry
• Organic chemistry
• Photochemistry
• Chemical engineering
• Physical chemistry

Selected publications

• Tris(pentafluorophenyl)borane (BCF)-catalyzed meinwald rearrangement of epoxides

  Journal of Catalysis · 2026-01-20

  articleSenior author
  PublisherDOI

• Kinetics of Aryl Borane-Catalyzed Propylene Oxide Ring Opening by 1-Propanol

  Industrial & Engineering Chemistry Research · 2026-01-16

  articleSenior authorCorresponding

  Propylene oxide (PO) ring-opening is crucial to the production of many commodity chemicals, including polyether polyols, which are solvents and intermediates in polyurethane production. In previous studies, we demonstrated that a strongly Lewis-acidic aryl borane, tris(pentafluorophenyl)borane, or BCF, catalyzed the ring-opening reactions of aliphatic epoxides and exhibited high regioselectivity to products with a primary hydroxyl group. We previously established a microkinetic model for a limited subset of reaction conditions and a model epoxide. Here, we used PO as the epoxide and 1-propanol (1-Prop) as the initiator/nucleophile, and we employed a high ratio of PO to 1-Prop to understand the reactivity under industrially relevant conditions that give oligomers and side products, primarily propionaldehyde (PA). We analyzed a wide range of temperatures, catalyst loadings, and concentrations of PO, 1-Prop, and residual water. BCF maintained its high regioselectivity but exhibited complex kinetic behaviors due to its Lewis acidity and the hydrogen bonding networks present under the reaction conditions. At low temperatures, BCF showed both an initial rate acceleration and inhibition at moderate conversion, both of which were assigned to the formation of inactive BCF complexes with oligomers, including the reaction products. The formation of these complexes was verified with NMR. We developed an enhanced microkinetic model that successfully captured this system’s unique kinetic behavior. Density functional theory (DFT) calculations for the energies of forming catalytic intermediates and transition states provided initial estimates for kinetic constants, which were then fit to the experimental data with a small number of adjustable parameters. This study shows that BCF-catalyzed reaction kinetics are dictated by the competitive formation of BCF complexes with different hydrogen bond acceptors in the reaction system, including water, polyether products, and the 1-Prop nucleophile.

  PublisherDOI

• Versatile and Robust Nickel Single Atom Catalysts

  ACS Catalysis · 2025-12-17

  preprint

  A vast number of industrial catalytic processes rely on noble metals, also called platinum group metals (PGMs), which are scarce and expensive. Replacing these expensive noble metals with earth abundant metals (EAMs) represents a major challenge. Although nickel is known to be an excellent catalyst for certain reactions, like hydrogenation, it is unselective in metallic form and is inactive when oxidized during CO oxidation or methane oxidation reactions. Here we show that many of the reactions catalyzed by PGMs, such as oxidation or hydrogenation, can also be carried out effectively by a base metal such as nickel, when it is stabilized in the form of isolated single atoms in the fluorite lattice of CeO2. Incorporating Ni into the CeO2 lattice (formally Ce0.9Ni0.1O1.8(OH)0.2) creates a versatile and robust Ni single atom catalyst. Protons help to balance the charge imbalance created by the Ni(II). We propose the resultant Ce(IV) participate actively in catalysis. The working catalyst contains atomically dispersed Ni(II) sites that are stable under reaction conditions. Unlike metallic Ni, this single atom catalyst is not pyrophoric, can be handled in air and easily activated for hydrogenation reactions. The synthesis described here is scalable and yields a high loading of Ni (~3 wt%) within the fluorite CeO2 lattice while also allowing facile substitution of Ce with co-dopants, such as Zr, to further tune the environment of the active sites.

  PublisherDOI

• Examining Metal Identity and Proximity Effects on Acetylene Hydrogenation with Azolate-Based MOFs

  ACS Applied Materials & Interfaces · 2025-12-05

  article

  Liquid organic hydrogen carriers (LOHCs) are an attractive fuel source due to their compatibility with existing transportation methods and ease of use. However, they suffer from sluggish (de)hydrogenation kinetics. One promising platform for developing next-generation catalysts is metal–organic frameworks (MOFs), which can enable systematic interrogation into the influence of metal identity and spatial arrangement. In this study, the effect of the coordination environment was investigated using Ni- and Co-based azolate MOFs: MFU-4l-OH (MxZn5–x(OH)4(BTDD)3; x = 4 for M = Co and x = 3 for M = Ni, H2BTDD = bis(1H-1,2,3-triazolo[4,5-b][4′,5′-i])dibenzo[1,4]dioxin), composed of single-site nodes, and M(OH)2BBTA (M = Ni, Co; H2BBTA = 1H,5H-benzo(1,2-d:4,5-d’)bistriazole), composed of extended chain-type nodes. The catalysts were characterized by isotherms, powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), inductively coupled plasma-optical emission spectroscopy (ICP-OES), and X-ray photoelectron spectroscopy (XPS) analysis. Acetylene hydrogenation activity under steady state conditions (150 °C, 1:1 C2H2:H2) revealed higher turnover frequencies (TOFs) up 1.8 × 10–4 min–1 and 3.0 × 10–5 min–1 for Ni-MFU-4l-OH and Co-MFU-4l-OH, respectively, compared to their BBTA analogues. However, the Co-based MOFs, particularly Co2(OH)2-BBTA, exhibited greater selectivity (up to 19%) for the fully hydrogenated ethane product. Isosteric heat of adsorption (Qst) measurements for ethylene and ethane revealed that the BBTA framework had stronger binding to the products than MFU-4l. These findings demonstrate that metal identity and coordination environment may modulate acetylene hydrogenation performance, leading to design principles for tuning LOHC hydrogenation catalysts.

  PublisherDOI

• Modeling of protodeborylation of tris(pentafluorophenyl)borane (BCF) under conditions relevant to epoxide ring-opening reactions

  Chemical Engineering Journal · 2025-01-01 · 2 citations

  article
  PublisherDOI

• Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives

  Energy & Fuels · 2025-07-09 · 2 citations

  article

  Storing hydrogen through chemical bonding in liquid-organic hydrogen carriers (LOHCs) offers a safer and more practical approach for hydrogen transportation compared to physical liquefaction, which is limited by low volumetric efficiency and gas release. The efficiency of LOHC systems is highly dependent on effective catalysts, which are typically composed of transition metals supported on metal oxides. However, these materials often rely upon costly noble metals, and their nonuniform nature limits mechanistic insights and structure–function relationships that could improve catalyst design. Metal–organic frameworks (MOFs) are promising alternatives to existing catalysts due to their crystalline, tunable, and porous nature. However, their use as catalysts for (de)hydrogenation reactions remains largely underexplored. Related to this, we identify two general classes of MOFs reported as catalysts for (de)hydrogenation reactions: MOFs as scaffolds for catalytically active species and MOFs that function as reactive materials themselves. MOF composites anchor reactive nanoparticles or homogeneous species, imparting reactivity to the framework. The confinement effects experienced by the affixed species, combined with favorable substrate adsorption interactions or acid sites provided by the MOF, enhance the stability, selectivity, and activity of these catalysts for (de)hydrogenation reactions. Additionally, catalytically active MOFs often feature open metal sites at the node or undergo postsynthetic modification at either node or linker to impart reactivity. Taking inspiration from these materials, we outline the current state and key challenges of utilizing MOFs as (de)hydrogenation catalysts and propose research pathways to advance materials in this field for energy applications.

  PublisherDOI

• Corrigendum to “Identification and evolution of active sites in isomorphously substituted Fe-ZSM-5 catalysts for methane dehydroaromatization (MDA)”. [J. Catl. 446 (2025) 116090/[YJCAT_116090]

  Journal of Catalysis · 2025-07-19

  erratumOpen accessSenior author
  PublisherDOI

• Enabling Ethanol Dehydrogenation Catalysis by Postsynthetic Anion Exchange of Triazolate-Based Metal–Organic Frameworks

  Journal of the American Chemical Society · 2025-07-28 · 5 citations

  articleCorresponding

  Materials containing soft, polarizable elements are expanding the boundaries of catalytic properties, offering unique electronic communication and stability characteristics compared with their harder counterparts due to the enhanced covalent nature of metal–ligand interactions. However, integrating soft components like sulfur into metal–organic frameworks (MOFs) for catalytic applications remains a largely underexplored challenge. Here, we report the synthesis of a family of triazole-based MOFs and expand upon established postsynthetic anion exchange methods to incorporate sterically encumbered polarizable elements, such as alkyl thiolates. Single-crystal X-ray diffraction, coupled with elemental analysis, confirms the successful anion exchange within M2X2BBTA (M = Co, Ni; X = μ-Cl, μ-OH, μ-SH, μ-SMe, μ-SEt; H2BBTA = 1H,5H-benzo(1,2-d:4,5-d′)bistriazole). We found that the anion identity significantly impacts the catalytic activity and selectivity of the MOFs, especially in nonoxidative ethanol dehydrogenation. Temperature-programmed experiments indicated that the metal single sites act as catalytically active sites below 250 °C. This work not only expands the synthetic toolbox for incorporating polarizable components into MOFs but also provides critical insights into their catalytic potential.

  PublisherDOI

• A meta-analysis and experimental comparison of the deactivation behavior of Mo/H-ZSM-5 and related catalysts under methane dehydroaromatization conditions

  Applied Catalysis A General · 2025-09-15

  articleSenior authorCorresponding
  PublisherDOI

• Pt/Al ₂ O ₃ Overcoated with Reactive Metal Oxides and Their Application to Catalytic Oxidation of Propane

  Small Methods · 2025-10-01 · 2 citations

  articleOpen accessSenior authorCorresponding

  Abstract Inverse‐structured metal‐metal oxide materials—where the oxides are located on top of a different metal—can provide unique chemical properties. Here, a few layers of reactive metal oxides, including In 2 O 3 , MoO 3 , Bi 2 O 3 , or TiO 2 , are overcoated on Al 2 O 3 ‐supported Pt nanoparticles using atomic layer deposition (ALD). In contrast to prior work focusing on stabilizing metal surfaces or new mixed‐valence nanoparticles, here the goal is to create new reactive surfaces and interfaces. The overcoating altered the Pt nanoparticle accessibility as measured by STEM, CO chemisorption, and CO DRIFTS. The reactivity of the overcoated materials is interrogated with temperature‐programmed reduction in H 2 , in propane, and in the catalytic reaction of propane with O 2 . Strong interactions between In 2 O 3 and the Pt nanoparticles are evident from changes in Pt accessibility, In 2 O 3 reducibility, and tandem catalytic reactivity. MoO 3 and Bi 2 O 3 overcoats also showed significant changes to Pt accessibility and the reducibility of the oxide in H 2 ; Bi 2 O 3 addition led to complete propane combustion. This study establishes ALD methods for reactive oxides on high surface area materials suitable for applications such as heterogeneous catalysis, and it illustrates the wide range of useful physiochemical modifications resulting from the unique oxide‐metal interfaces generated.

  PublisherOA PDFDOI

Recent grants

• Atom-precise adsorption sites from grafted, intrinsically porous oligomers

  NSF · $276k · 2009–2013

Frequent coauthors

• Randall Q. Snurr

  Northwestern University

  55 shared

• Omar K. Farha

  Northwestern University

  55 shared

• Andrew Rosen

  50 shared

• Alexander Katz

  University of California, Berkeley

  42 shared

• Enrique Iglesia

  University of California, Berkeley

  38 shared

• Leandro Andrini

  34 shared

• Félix G. Requejo

  34 shared

• Vitaly I. Kаlchеnkо

  Enamine (Ukraine)

  25 shared

Labs

• Notestein Research GroupPI

Education

• PhD, Chemical Engineering

  University of California Berkeley

  2006

• B.S.E., Chemical Engineering

  Princeton University

  2001