Simon M. Vornholt

ORCID: 0000-0001-9490-3785
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About
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Research Areas
  • Metal-Organic Frameworks: Synthesis and Applications
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Zeolite Catalysis and Synthesis
  • Covalent Organic Framework Applications
  • Catalysis and Hydrodesulfurization Studies
  • Crystallography and molecular interactions
  • Machine Learning in Materials Science
  • Polyoxometalates: Synthesis and Applications
  • Advanced Battery Materials and Technologies
  • Nanoplatforms for cancer theranostics
  • Thermal and Kinetic Analysis
  • Advancements in Battery Materials
  • Chemical Synthesis and Reactions
  • Membrane Separation and Gas Transport
  • Nuclear materials and radiation effects
  • Industrial Gas Emission Control
  • Gas Sensing Nanomaterials and Sensors
  • Carbon Dioxide Capture Technologies
  • Nanomaterials for catalytic reactions
  • Inorganic Chemistry and Materials
  • Aerogels and thermal insulation
  • Magnesium Oxide Properties and Applications
  • High Temperature Alloys and Creep
  • Electronic and Structural Properties of Oxides

Stony Brook University
2022-2025

University of St Andrews
2017-2023

Rice University
2022

Andrews University
2022

Conemaugh Memorial Medical Center
2020

St. Andrews University
2017-2020

Heinrich Heine University Düsseldorf
2014

CALF-20, a Zn-triazolate-based metal–organic framework (MOF), is one of the most promising adsorbent materials for CO2 capture. However, competitive adsorption water severely limits its performance when relative humidity (RH) exceeds 40%, limiting potential implementation CALF-20 in practical settings where saturated with moisture, such as postcombustion flue gas. In this work, three newly designed MOFs related to denoted NU-220, CALF-20M-w, and CALF-20M-e that feature hydrophobic...

10.1021/jacs.3c11671 article EN Journal of the American Chemical Society 2024-01-31

Carbon capture, storage, and utilization (CCSU) represents an opportunity to mitigate carbon emissions that drive global anthropogenic climate change. Promising materials for CCSU through gas adsorption have been developed by leveraging the porosity, stability, tunability of extended crystalline coordination polymers called metal-organic frameworks (MOFs). While development these has yielded highly effective CO2 sorbents, in-depth understanding properties MOF pores lead most efficient uptake...

10.1021/jacs.3c01146 article EN Journal of the American Chemical Society 2023-05-15

CALF-20 is a zinc-triazole-oxalate-based metal–organic framework (MOF) that exhibits selective CO2 physisorption, which makes it attractive for potential applications in capture. However, to implement such applications, the structure must endure extended exposure environmental conditions may lead changes structure, chemistry, and, hence, performance. Here we find originally reported phase (now denoted α-CALF-20) undergoes transformation following humid environments generate new polymorph,...

10.1021/acsmaterialslett.3c00930 article EN ACS Materials Letters 2023-10-05

Despite global efforts to reduce carbon dioxide (CO2) emissions, continued industrialization threatens exacerbate climate change. This work investigates methods capture CO2, with a focus on the SIFSIX-3-Ni metal–organic framework (MOF) as direct air (DAC) sorbent. exhibits promising CO2 adsorption properties but suffers from degradation processes under accelerated aging, which are akin column regeneration conditions. Herein, we have grown largest single crystals date, facilitating crystal...

10.1021/jacs.3c11503 article EN Journal of the American Chemical Society 2024-01-25

Since the outbreak of SARS-CoV-2, a multitude strategies have been explored for means protection and shielding against virus particles: filtration equipment (PPE) has widely used in daily life. In this work, we explore another approach form deactivating coronavirus particles through selective binding onto surface metal–organic frameworks (MOFs) to further fight transmission respiratory viruses. MOFs are attractive materials regard, as their rich pore chemistry can easily be modified on...

10.1021/acsami.2c21187 article EN cc-by ACS Applied Materials & Interfaces 2023-02-14

Single crystal CPO-27-Mg, -Zn and its structural isomer UTSA-74 have been prepared through use of acid modulators; salicylic benzoic acid, respectively.

10.1039/c9ce00098d article EN CrystEngComm 2019-01-01

Earth-abundant metal oxides are excellent candidates for photocatalytic applications due to their low cost and high stability in aqueous solutions. Materials that contain a combination of cations with an s2 electron lone pair d0 electronic configuration, such as BiVO4, possess favorable band gaps. BiVO4 has also been reported noncentrosymmetric polar properties, flexoelectricity, piezo-photocatalysis, anomalous photovoltaic effect, despite its centrosymmetric crystal structure. Here, it is...

10.1021/jacs.4c18032 article EN Journal of the American Chemical Society 2025-02-19

Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs the storage and release biologically active gases, particularly nitric oxide (NO) carbon monoxide (CO), has been a subject interest. To elucidate binding mechanisms geometry these an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source performed on set that display promising gas adsorption properties. NO CO, were introduced into...

10.1038/s42004-023-00845-1 article EN cc-by Communications Chemistry 2023-03-01

Sufficient concentration of nitric oxide is released from metal organic framework loaded polymer films to impart antibacterial efficacy.

10.1039/d0ma00650e article EN cc-by Materials Advances 2020-01-01

Chemically robust, low-power sensors are needed for the direct electrical detection of toxic gases. Metal–organic frameworks (MOFs) offer exceptional chemical and structural tunability to meet this challenge, though further understanding is regarding how coadsorbed gases influence or interfere with response. To probe competitive on trace NO2 in a simulated flue gas stream, combined structure–property study integrating synchrotron powder diffraction pair distribution function analyses was...

10.1021/acsami.3c06864 article EN ACS Applied Materials & Interfaces 2023-07-27

In metal–organic frameworks (MOFs) the interplay between dynamics of individual components and how these are constrained by extended lattice can yield unusual emergent phenomena. For archetypal Zr-MOF, UiO-66, we explore cooperative a Zr-node transformation that gives rise to negative thermal expansion (NTE). Using in situ synchrotron X-ray scattering, with powder diffraction pair distribution function (PDF) analyses, identify hysteresis ramp-rate-dependence expansion. Specifically, kinetic...

10.1021/jacs.4c05313 article EN Journal of the American Chemical Society 2024-06-14

A multifaceted study involving focused ion beam scanning electron microscopy techniques, mechanical analysis, water adsorption measurements, and molecular simulations is employed to rationalize the nitric oxide release performance of polyurethane films containing 5, 10, 20, 40 wt % metal–organic framework (MOF) CPO-27-Ni. The polymer MOF are first demonstrated exhibit excellent compatibility. This reflected in even distribution encapsulation large loadings throughout full thickness by rather...

10.1021/acsami.0c17937 article EN publisher-specific-oa ACS Applied Materials & Interfaces 2020-12-16

Countless inorganic materials are prepared via high temperature solid-state reaction of mixtures reagents powders. Understanding and controlling the phenomena that limit these reactions is crucial to designing for new synthesis. Here, focusing on topotactic ion-exchange between NaFeO2 LiBr as a model reaction, we manipulate mesoscale architecture transport pathways by changing packing interfacial contact reagent particles. Through analysis in situ synchrotron X-ray diffraction data, identify...

10.1021/jacs.2c05043 article EN Journal of the American Chemical Society 2022-06-28

The fundamental chemical and structural diversity of metal-organic frameworks (MOFs) is vast, but there a lack industrial adoption these extremely versatile compounds. To bridge the gap between basic research industry, MOF powders must be formulated into more application-relevant shapes and/or composites. Successful incorporation varying ratios two different MOFs, CPO-27-Ni CuBTTri, in thin polymer film represents an important step toward development mixed mixed-matrix membranes. gain...

10.1021/acsami.3c11283 article EN cc-by ACS Applied Materials & Interfaces 2023-10-11

Solid-state syntheses are generally regarded as being slow, limited by transport, and, such, often only stopped to check the products after many hours at high temperature. Here, using a custom-designed reactor rapidly initiate solid-state syntheses, we able capture earliest stages of reaction in situ X-ray scattering. For TiO2 and Li2CO3 form spinel lithium titanate (Li4Ti5O12)─an anode material for fast-charging applications─we two distinct kinetic regimes, including fast initial kinetics...

10.1021/jacs.3c10916 article EN Journal of the American Chemical Society 2023-11-29

In situ X-ray scattering provides valuable insights into the mechanisms and kinetics of reactions structural transformations. For transformations primarily driven by temperature, not coupled to chemical/electrochemical triggers, our ability initiate quench processes thermally is a practical limit for probing fast reactive phenomena. Meaningful quantitative analysis requires dynamic phenomena be triggered on time scales relative reaction/transformation kinetics. This article describes new...

10.1107/s1600576723011020 article EN Journal of Applied Crystallography 2024-01-10

CPO-27-M (M = Co, Mg, Ni, Zn) metal–organic frameworks have been successfully synthesized at temperatures down to −78 °C in a range of solvent systems and their crystallinity morphology analyzed by powder X-ray diffraction scanning electron microscopy.

10.1039/c7dt01223c article EN Dalton Transactions 2017-01-01

Abstract The size of single crystals the metal‐organic framework CPO‐27‐Ni was incrementally increased through a series modulated syntheses. A novel linker synthesis using 2,5‐dihydroxyterephthalic acid and isomeric ligand 4,6‐dihydroxyisophthalic yielded large (∼70 μm). All materials were shown to have high crystallinity phase purity powder X‐ray diffraction, electron microscopy methods, thermogravimetry, compositional analysis. For first time single‐crystal structure analyses carried out...

10.1002/chem.202100528 article EN cc-by Chemistry - A European Journal 2021-03-30

10.1038/s41563-019-0437-x article EN Nature Materials 2019-07-15

Hydrothermal methods are widely used to synthesize functional inorganic materials. The interplay between the reactive species, solution chemistry, and nanoscale product makes it challenging control reaction pathway achieve a uniform product. Here, we resolve heterogeneity that arises during hydrothermal synthesis across different length scales. We combine spatially resolved

10.1021/jacs.4c00749 article EN Journal of the American Chemical Society 2024-04-08

Metal-organic frameworks (MOFs) have garnered substantial attention for their unique properties, such as high porosity and tunable structures, making them versatile various applications. This paper constructs photoactive titanium-organic by combining Ti(IV) clusters a bipyridine linker. The MOF is synthesized in situ through imine condensation, resulting NU-2300. Subsequent ex nickel salt complexation results NU-2300-Ni, which then used light-mediated carbon-heteroatom cross-couplings....

10.1021/acsami.4c03651 article EN ACS Applied Materials & Interfaces 2024-06-25

The assembly-disassembly-organisation-reassembly (ADOR) process is an important tool to access zeolite structures that are otherwise unfeasible via hydrothermal methods. In situ flow pair distribution function (PDF) analysis has been used probe the mechanism of disassembly and organisation steps, with a rapid step often difficult capture. Zeolite UTL was hydrolysed by 6 M hydrochloric acid, PDF measurements monitor framework alterations as reaction proceeded. resulting shows initial removal...

10.1039/d1ma00335f article EN cc-by Materials Advances 2021-01-01
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