Haomiao Xie

ORCID: 0000-0001-7688-6571
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Research Areas
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Metal-Organic Frameworks: Synthesis and Applications
  • Magnetism in coordination complexes
  • Covalent Organic Framework Applications
  • Lanthanide and Transition Metal Complexes
  • Radioactive element chemistry and processing
  • Organic and Molecular Conductors Research
  • Catalytic Processes in Materials Science
  • Crystallography and molecular interactions
  • Membrane Separation and Gas Transport
  • Carbon Dioxide Capture Technologies
  • Machine Learning in Materials Science
  • Polyoxometalates: Synthesis and Applications
  • Luminescence and Fluorescent Materials
  • Advanced Nanomaterials in Catalysis
  • Nanocluster Synthesis and Applications
  • Enhanced Oil Recovery Techniques
  • Nanoplatforms for cancer theranostics
  • Advanced Photocatalysis Techniques
  • Boron and Carbon Nanomaterials Research
  • Electron Spin Resonance Studies
  • Molecular Sensors and Ion Detection
  • Organic Electronics and Photovoltaics
  • Perovskite Materials and Applications

Northwestern University
2021-2025

Northwestern University
2025

Texas A&M University
2015-2022

Mitchell Institute
2015-2020

College Station Medical Center
2015-2020

The rational design and synthesis of robust metal–organic frameworks (MOFs) based on novel organic building blocks are fundamental aspects reticular chemistry. Beyond simply fabricating new linkers, however, it is important to elucidate structure–property relationships at the molecular level develop high-performing materials. In this work, we successfully targeted a highly porous cage-type MOF (NU-200) with an nbo-derived fof topology through deliberate assembly cyclohexane-functionalized...

10.1021/jacs.2c00011 article EN Journal of the American Chemical Society 2022-02-18

Industrial-scale thermal separation processes have contributed greatly to the rise in carbon dioxide emissions. Porous materials, such as metal–organic frameworks (MOFs), can potentially reduce these emissions by achieving nonthermal chemical separations through physical adsorption of targeted species with high selectivity. Here, we report synthesis channel-based MOFs NU-2000 and NU-2001, which are constructed from three-dimensional (3D) linkers, separate industrially relevant xylene isomers...

10.1021/jacs.2c03114 article EN Journal of the American Chemical Society 2022-07-05

Abstract Metal–organic frameworks (MOFs) with Lewis acid catalytic sites, such as zirconium‐based MOFs (Zr‐MOFs), comprise a growing class of phosphatase‐like nanozymes that can degrade toxic organophosphate pesticides and nerve agents. Rationally engineering shaping from as‐synthesized powders into hierarchically porous monoliths is essential for their use in emerging applications, filters air water purification personal protection gear. However, several challenges still limit the...

10.1002/adma.202300951 article EN cc-by Advanced Materials 2023-06-13

Efficient separation of xenon (Xe) and krypton (Kr) mixtures through vacuum swing adsorption (VSA) is considered the most attractive route to reduce energy consumption, but discriminating between these two gases difficult due their similar properties. In this work, we report a cubic zirconium-based MOF (Zr-MOF) platform, denoted as NU-1107, capable achieving selective Xe/Kr by post-synthetically engineering framework polarizability in programmable manner. Specifically, tetratopic linkers...

10.1021/jacs.2c13171 article EN Journal of the American Chemical Society 2023-01-18

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

Practical applications involving the magnetic bistability of single-molecule magnets (SMMs) for next-generation computer technologies require nanostructuring, organization, and protection nanoscale materials in two- or three-dimensional networks, to enable read-and-write processes. Owing their porous nature structural long-range order, metal–organic frameworks (MOFs) have been proposed as hosts facilitate these efforts. Although probing channels MOF composites using indirect methods is well...

10.1021/jacs.8b11374 article EN Journal of the American Chemical Society 2019-01-14

Water vapor sorption by metal-organic frameworks (MOFs) has gathered significant interest because of its prominent potential in many applications such as moisture harvesting, dehumidification, heat pump regulation, and hydrolysis catalysis. However, the reticular design exploration robust high-performing Zr-MOFs for purposes remains a sought-after endeavor. In this work, we present deployment chemistry to target series based on unique [2.2]paracyclophane (PCP) scaffold. The ease...

10.1021/jacs.1c11836 article EN Journal of the American Chemical Society 2022-01-21

The world is currently suffering socially, economically, and politically from the recent pandemic outbreak due to coronavirus disease 2019 (COVID-19), those in hospitals, schools, elderly nursing homes face enhanced threats. Healthcare textiles, such as masks medical staff gowns, are susceptible contamination of various pathogenic microorganisms, including bacteria viruses. Metal–organic frameworks (MOFs) can potentially address these challenges their tunable reactivity ability be...

10.1021/jacs.2c03060 article EN Journal of the American Chemical Society 2022-07-05

Metal–organic frameworks (MOFs) are highly tunable materials with potential for use as porous media in non-thermal adsorption or membrane-based separations. However, many separations target molecules sub-angstrom differences size, requiring precise control over the pore size. Herein, we demonstrate that this can be achieved by installing a three-dimensional linker an MOF one-dimensional channels. Specifically, synthesized single crystals and bulk powder of NU-2002, isostructural framework to...

10.1021/jacs.2c13715 article EN Journal of the American Chemical Society 2023-03-10

Metal-organic frameworks (MOFs) have been proposed as a promising material for non-thermal chemical separations owing to their high structural diversity and tunability. Here, we report the synthesis of zinc-based MOF containing three-dimensional (3D) linker, bicyclo[2.2.2]octane-1,4-dicarboxylic acid, with thermal stability towards separation hexane isomers. The incorporation 3D linker enhances provides well-defined pore apertures/channels sub-Ångstrom precision. This precision allowed...

10.1002/anie.202219053 article EN publisher-specific-oa Angewandte Chemie International Edition 2023-02-15

Hexane isomers play a vital role as feedstocks and fuel additives in the petrochemical industry. However, their similar physical chemical properties lead to significant challenges separation process. Traditional thermal techniques are energy-intensive carbon footprint penalties. As such, there is growing demand for development of less nonthermal methods. Adsorption-based methods, such using solid sorbents or membranes, have emerged promising alternatives distillation. Here, we report...

10.1021/jacs.3c04641 article EN Journal of the American Chemical Society 2023-10-20

Metal-organic frameworks (MOFs) are a class of materials with diverse chemical and structural properties, have been shown to effectively adsorb various types guest molecules. The mechanism water adsorption in NU-1500-Cr, high-performance atmospheric harvesting MOF, is investigated using combination molecular dynamics simulations infrared spectroscopy. Calculations thermodynamic dynamical properties as function relative humidity allow for following the process from initial hydration stage...

10.1038/s42004-023-00870-0 article EN cc-by Communications Chemistry 2023-04-15

Organophosphorus nerve agents are among the most toxic chemicals known and remain threats to humans due their continued use despite international bans. Metal–organic frameworks (MOFs) have emerged as a class of heterogeneous catalysts with tunable structures that capable rapidly detoxifying these via hydrolysis at Lewis acidic active sites on metal nodes. To date, majority studies in this field focused zirconium-based MOFs (Zr-MOFs) contain hexanuclear Zr(IV) clusters, large toolbox...

10.1021/jacs.2c13887 article EN Journal of the American Chemical Society 2023-03-15

Countries around the world have sought efficient protective coverings, including masks, gowns, and fabrics, for air purification to protect people against infectious diseases. However, demand significant quantities of disposable textiles poses a global challenge, especially when production gear is suspended due COVID-19 outbreaks in factories along supply lines. Therefore, development reusable, self-decontaminating masks coverings loaded with disinfectants, such as antibacterial peroxide...

10.1021/acs.chemmater.2c03288 article EN Chemistry of Materials 2023-03-03

Control of humidity within confined spaces is critical for maintaining air quality and human well-being, with implications environments ranging from international space stations pharmacies to granaries cultural relic preservation sites. However, existing techniques rely on energy-intensive electrically driven equipment or complex temperature control (THC) systems, resulting in imprecision inconvenience. The development innovative materials capable simultaneously meeting the stringent...

10.1021/jacs.3c11733 article EN Journal of the American Chemical Society 2024-01-08

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

Enriching the structural diversity of metal–organic frameworks (MOFs) is great importance in developing functional porous materials with specific properties. New MOF structures can be accessed through rational design organic linkers diverse geometric conformations, and their complexity enhanced by choosing reduced symmetry. Herein, a series Zr‐based MOFs unprecedented topologies were developed linker desymmetrization conformation engineering approach. A tritopic carboxylate symmetry flexible...

10.1002/anie.202424260 article EN Angewandte Chemie International Edition 2025-01-20

Antimony and bismuth ⟨111⟩ layered perovskites have recently attracted significant attention as possible, nontoxic alternatives to lead halide perovskites. Unlike perovskites, however, shown limited ability tune their optical electronic properties. Herein, we report on the metal alloying of manganese copper into family materials with formula Cs4Mn1–xCuxSb2Cl12 (x = 0–1). By changing concentration copper, show modulate bandgap this compounds over span 2 electron volts, from 3.0 1.0 eV....

10.1021/acs.chemmater.8b02099 article EN Chemistry of Materials 2018-07-13

Electrochemical stability and state delocalization critically impact the functions practical applications of electronically active polymers.

10.1039/d0sc03348k article EN cc-by-nc Chemical Science 2020-01-01

Owing to their switchable spin states and dynamic electronic character, organic-based radical species have been invoked in phenomena unique a variety of fields. When incorporated solid state materials, generation organic radicals proves challenging due aggregation. Metal-organic frameworks (MOFs) are promising candidates for immobilization stabilization because the tunable spatial arrangement linkers metal nodes, which sequesters reactive species. Herein, flexible, redox-active...

10.1021/jacs.1c11417 article EN Journal of the American Chemical Society 2022-02-07

In the case of an incident with nerve agents, timely and ready detection identification such a substance on suspected surfaces is essential. However, low levels agents surface considerable challenge for conventional equipment, especially VX, highly toxic agent volatility. Here, we report development metal–organic framework (MOF)/fabric composite that gives rapid, visual, sensitive color response when pre-wetted rubbed over VX-contaminated surface. The fabric composed cotton textile modified...

10.1021/acs.chemmater.1c03895 article EN Chemistry of Materials 2022-01-19

The increase in the atmospheric carbon dioxide level is a significant threat to our planet, and therefore selective removal of CO2 from air global concern. Metal-organic frameworks (MOFs) are class porous materials that have shown exciting potential as adsorbents for capture due their high surface area tunable properties. Among several implemented technologies, direct (DAC) using MOFs promising strategy achieving climate targets it has actively reduce concentration safer levels. In this...

10.1039/d3sc02554c article EN cc-by Chemical Science 2023-01-01

Proteins play important roles in the therapeutic, medical diagnostic, and chemical catalysis industries. However, their potential is often limited by fragile dynamic nature outside cellular environments. The encapsulation of proteins solid materials has been widely pursued as a route to enhance stability ease handling. Nevertheless, experimental investigation protein interactions with rationally designed synthetic hosts still represents an area need improvement. In this work, we leveraged...

10.1021/jacs.3c01989 article EN Journal of the American Chemical Society 2023-07-18

The local environment of a metal active site plays an important role in affecting the catalytic activity and selectivity. In recent studies, tailoring behavior molybdenum-based via modulation first coordination sphere has led to improved thioanisole oxidation performance, but disentangling electronic effects from steric influences that arise these modifications is nontrivial, especially heterogeneous systems. To this end, tunability metal–organic frameworks (MOFs) makes them promising...

10.1021/jacs.3c11809 article EN Journal of the American Chemical Society 2024-01-31

We developed a strategy for synthesizing single-crystal Zr-phosphonate MOFs, retaining parent topology via post-synthesis. SALE and post-synthetic oxidation enable linker modification, enhancing hydrophilicity Brønsted acidity.

10.1039/d3ta07163d article EN cc-by Journal of Materials Chemistry A 2024-01-01
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