A5059340699- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Catalysis and Hydrodesulfurization Studies
- Catalytic Processes in Materials Science
- Crystallography and molecular interactions
- Catalysis for Biomass Conversion
- Magnetism in coordination complexes
- Nanomaterials for catalytic reactions
- Electrocatalysts for Energy Conversion
- Metal complexes synthesis and properties
- Zeolite Catalysis and Synthesis
- Catalysis and Oxidation Reactions
- Organometallic Complex Synthesis and Catalysis
- Thermochemical Biomass Conversion Processes
- Innovative Microfluidic and Catalytic Techniques Innovation
- Biofuel production and bioconversion
- Machine Learning in Materials Science
- Carbon dioxide utilization in catalysis
- Metal-Organic Frameworks: Synthesis and Applications
- Ionic liquids properties and applications
- Catalysts for Methane Reforming
- Biodiesel Production and Applications
- Advanced Combustion Engine Technologies
- Cyclopropane Reaction Mechanisms
- Process Optimization and Integration
National Renewable Energy Laboratory
2015-2024
Boston University
2010-2016
Transition metal carbides (TMCs) have demonstrated outstanding potential for utilization in a wide range of catalytic applications because their inherent multifunctionality and tunable composition. However, the harsh conditions required to prepare these materials limited scope synthetic control over physical properties. The development low-temperature, carburization-free routes TMCs would unlock versatility this class materials, enhance our understanding properties, enable cost-effective...
Bifunctional fixed-bed catalysts improve CFP performance.
Ex situ catalytic fast pyrolysis of biomass is a promising route for the production fungible liquid biofuels. There significant ongoing research on design and development catalysts this process. However, there are limited number studies investigating process configurations their effects biorefinery economics. Herein we present conceptual with techno-economic assessment; it includes upgraded bio-oil via fixed bed ex followed by final hydroprocessing to hydrocarbon fuel blendstocks. This study...
Metal phosphides have been identified as a promising class of materials for the catalytic upgrading bio-oils, which are renewable and potentially inexpensive sources liquid fuels. Herein, we report facile synthesis series solid, phase-pure metal phosphide nanoparticles (NPs) (Ni2P, Rh2P, Pd3P) utilizing commercially available, air-stable metal–phosphine complexes in one-pot reaction. This single-source molecular precursor route provides an alternative method to access NPs with controlled...
Transition-metal phosphides (TMPs) are versatile materials with tunable electronic and structural properties that have led to exceptional catalytic performances for important energy applications. Identifying predictive relationships between the performance key features such as composition, morphology, crystalline structure hinges on ability independently tune these variables within a TMP system. Here, we developed versatile, low-temperature solution synthesis route alloyed nickel phosphide...
The hydrogenation of CO
The translation of batch chemistries to high-throughput flow methods addresses scaling concerns associated with the implementation colloidal nanoparticle (NP) catalysts for industrial processes. A literature procedure synthesis Ni-NPs was adapted a continuous millifluidic (mF) method, achieving yields >60%. Conversely, NPs prepared in (B) reaction under conditions analogous gave only 45% yield. Both mF- and B-Ni-NP were supported on SiO2 compared Ni/SiO2 catalyst by traditional incipient...
Molybdenum carbide has been identified as a promising bifunctional catalyst in the deoxygenation of variety pyrolysis vapor model compounds. Although high activity demonstrated, complementary hydrogenation limited, especially for lignin-derived, aromatic The ability to control relative site densities acidic and functionalities represents design challenge these materials with goal improve under ex situ catalytic fast (CFP) conditions. Here we demonstrate that addition Pt Ni β-Mo2C resulted an...
Abstract Surface modification of mesoporous SBA‐15 silica generated a hydrophobic environment for molybdenum diamine (Mo‐diamine) precursor solution, enabling direct growth isolated 1.9±0.4 nm α‐MoC 1− x nanoparticles (NPs) inside the pores support. The resulting NP catalysts are bifunctional, and compared to bulk β‐Mo 2 C, NPs exhibit greater acid‐site:H‐site ratio fraction stronger acid sites. results in higher decarbonylation (DCO) selectivity during acetic hydrodeoxygenation (HDO)...
Developers of novel catalysts often have limited access to information on the costs their catalytic materials. The R&D and commercialization decisions made by these researchers would benefit from cost estimates that are accurate directly comparable prices incumbent materials, but developing such requires detailed knowledge industrial synthesis methods costs. In order address one critical part this need for information, namely, capital operating using catalyst manufacturing process equipment,...
Three paramagnetic heterobimetallic lantern complexes of the form [PtM(tba)4(OH2)] (M = Fe, 1; Co, 2; Ni, 3; tba thiobenzoate) have been prepared in a single-step, bench-top procedure. In all three cases, structure with Pt–M bonding is observed solution and solid state. Compound 1 monomer whereas 3 exists as dimer state via Pt⋯Pt metallophilic interaction. 2 has characterized forms (2a, purple) without (2b, yellow) interactions. The dimers 2a (J −10 cm−1, based on spin Hamiltonian Ĥ...
The design of nanoparticles (NPs) with tailored morphologies and finely tuned electronic physical properties has become a key strategy for controlling selectivity improving conversion efficiency in variety important electrocatalytic transformations. Transition metal phosphide NPs, particular, have emerged as versatile class catalytic materials due to their multifunctional active sites composition- phase-dependent properties. Access targeted transition NPs controlled features is necessary...
A series of Pt-based heterobimetallic lantern complexes the form [PtM(SAc)4(OH2)] (M = Co, 1; Ni, 2; Zn, 3) were prepared using a facile, single-step procedure. These hydrated species reacted with 3-nitropyridine (3-NO2py) to prepare three additional complexes, [PtM(SAc)4(3-NO2py)] 4; 5; 6), or alternatively dried in vacuo dehydrated [PtM(SAc)4] 7; 8; 9). The Co- and Ni-containing exhibit Pt-M bonding solution solid state. In structurally characterized compounds 1-6, units dimers state via...
A trio of Pt-based heterobimetallic lantern complexes the form [(py)PtM(SAc)4(py)] (M = Co, 1; Ni, 2; Zn, 3) with unusual octahedral coordination Pt(II) was prepared from a reaction [PtM(SAc)4] excess pyridine. These dipyridine could be converted to monopyridine derivatives gentle heat give series [PtM(SAc)4(py)] 4; 5; 6). An additional family [PtM(SAc)4(pyNH2)] 7; 8; 9) synthesized [PtM(SAc)4(OH2)] or 4-aminopyridine. Dimethylsulfoxide and N,N-dimethylformamide were also determined react...
For guaiacol deoxygenation under catalytic fast pyrolysis conditions, support acidity increases activity while reducibility enhances selectivity to deoxygenated products.
Pt-based heterobimetallic lantern complexes of the form [PtM(SOCR)4(L)] have been shown previously to intermolecular metallophilic interactions and engage in antiferromagnetic coupling between lanterns having M atoms with open shell configurations. In order understand better influence carboxylate bridge terminal ligand on electronic structure, as well metal-metal within each unit, a series diamagnetic complexes, [PtMg(SAc)4(OH2)] (1), [PtMg(tba)4(OH2)] (2), [PtCa(tba)4(OH2)] (3),...
Methyl-terminated polyoxymethylene ethers (MM-POMEs), having the formula CH3O–(CH2O)n–CH3 (n = 3–5), are a high-cetane, low-sooting group of oxygenates that have recently attracted attention as potential diesel blendstocks. Despite these attractive fuel properties, MM-POMEs shortcomings due to their low energy density and high water solubility. Guided by computational property assessment for POMEs with longer end-groups, most promising improvements in desired compression ignition properties...
Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range catalytic transformations. However, the practicality synthesis is still limited harsh conditions in which most TMCs are prepared. Recently, solution-phase phase-pure α-MoC1–x nanoparticles was presented. While this synthetic route yielded with exceptional performance, reaction parameter space not explored, and catalyst throughput optimized for scale-up. Continuous flow...
Controlled synthesis of Ni 2− x Rh P nanoparticle catalysts enables an understanding composition-dependent selectivity for the hydrodeoxygenation reaction phenolic molecules.
An experimentally guided, early-stage techno-economic analysis reveals how ionic liquids can be economically adapted at scale through novel recycling methods to unlock their environmental benefits when used as solvents for nanoparticle syntheses.
Transition-metal carbides are promising low-cost materials for various catalytic transformations due to their multifunctionality and noble-metal-like behavior. Nanostructuring transition-metal offers advantages resulting from the large surface-area-to-volume ratios inherent in colloidal nanoparticle catalysts; however, a barrier utilization is removal of long-chain aliphatic ligands on surface access active sites. Annealing procedures remove these require temperatures greater than catalyst...