A5078985014- Electrocatalysts for Energy Conversion
- Advanced battery technologies research
- Electrochemical Analysis and Applications
- Advanced Photocatalysis Techniques
- Ammonia Synthesis and Nitrogen Reduction
- Catalysis and Hydrodesulfurization Studies
- Catalytic Processes in Materials Science
- Fuel Cells and Related Materials
- CO2 Reduction Techniques and Catalysts
- Ionic liquids properties and applications
- Catalysis for Biomass Conversion
- Chalcogenide Semiconductor Thin Films
- Hydrogen Storage and Materials
- Nanomaterials for catalytic reactions
- TiO2 Photocatalysis and Solar Cells
- Surface Chemistry and Catalysis
- Copper-based nanomaterials and applications
- Hybrid Renewable Energy Systems
- Advanced Battery Technologies Research
- Quantum Dots Synthesis And Properties
- Molecular Junctions and Nanostructures
- Caching and Content Delivery
- Solar-Powered Water Purification Methods
- Catalysts for Methane Reforming
- Chemical and Physical Properties in Aqueous Solutions
University of Michigan
2019-2025
Ann Arbor Center for Independent Living
2021
Institute of Catalysis and Petrochemistry
2021
Wuhan Engineering Science & Technology Institute
2021
Pacific Northwest National Laboratory
2016-2020
University of Washington
2016-2020
University of California, Santa Barbara
2012-2017
Santa Barbara City College
2014-2015
The University of Queensland
2015
University of California System
2014-2015
Electrocatalytic reduction is a promising approach to remediate nitrate (NO3–), one of the world's most widespread water pollutants. In present work, we elucidate activity and selectivity trends transition metals for electrocatalytic benign or value-added products such as N2 NH3. Using density functional theory (DFT) calculations, find that adsorption strengths oxygen nitrogen atoms act descriptors overall electrocatalysts. Nitrate rates, volcano plots, surface species coverages, degree rate...
Reactor and particle design considerations of suspension reactors for solar photoelectrochemical water splitting.
We review advances in the electrocatalytic nitrate reduction mechanism and evaluate future efforts. Existing work could be supplemented by controlling reaction conditions quantifying active sites to determine activity on a per-site basis.
The conversion of sunlight into electricity by photovoltaics is currently a mature science and the foundation lucrative industry. In conventional excitonic solar cells, electron-hole pairs are generated light absorption in semiconductor separated "built in" potential resulting from charge transfer accompanying Fermi-level equalization either at p-n or Schottky junction, followed carrier collection appropriate electrodes. Here we report stable, wholly plasmonic photovoltaic device which...
ADVERTISEMENT RETURN TO ISSUEPREVViewpointNEXTRole of Electrocatalysis in the Remediation Water PollutantsNirala Singh*Nirala SinghDepartment Chemical Engineering, University Michigan, Ann Arbor, Michigan 48109-2136, United StatesCatalysis Science and Technology Institute, States*N.S.: tel, +1 734 764-1571; email, [email protected]More by Nirala Singhhttp://orcid.org/0000-0003-0389-3927 Bryan R. Goldsmith*Bryan GoldsmithDepartment States*B.R.G.: 764-3627;...
Both electrocatalytic hydrogenation (ECH) and thermal catalytic (TCH) of phenol by Pt Rh show a rollover in rate with increasing temperature without changing the principal reaction pathways. The negative effect for aqueous-phase TCH ECH on is deduced to be from dehydrogenated adsorbates, which block active sites. rates increase similarly hydrogen chemical potential whether induced applied or H2 pressure, both via H coverage, indirectly removing site blockers, strong at high temperature. This...
Cobalt phthalocyanine (CoPc) is an active electrocatalyst for the sequential electrochemical reductions of CO2-to-CO and CO-to-methanol (CH3OH), it has been shown to be conversion CO2-to-CH3OH through a cascade catalysis reaction. However, in gas-fed flow electrolyzers equipped with gas diffusion electrodes (GDEs), reduction CO2 by CoPc selectively produces CO minimal CH3OH formation. Herein, we show that limited performance CO2–CO–CH3OH reactions primarily due competitive binding between...
Mixed metal sulfides containing combinations of W, Fe, Mo, Ni, and Ru were synthesized screened for activity stability the hydrogen evolution reaction (HER) in aqueous hydrobromic acid (HBr). Co- Ni-substituted RuS2 identified as potentially active HER electrocatalysts by high-throughput screening (HTS), specific compositions Co0.4Ru0.6S2 Ni0.6Ru0.4S2 optimization. Hydrogen HBr is greater than or CoS2 comparable to Pt commercial RhxSy. Structural morphological characterizations...
In aqueous phase, the rates of hydrogenation aromatic substrates such as phenol on Pt/C and Rh/C are influenced by varying activity hydronium ions. Decreasing pH from 8 to 1 increases rate Pt at 20 bar H2 80 °C 15-fold. This increase is attributed weakening hydrogen binding energy (HBE) metal surface with decreasing pH. A weaker HBE lower also predicted ab initio molecular dynamics simulations, providing atomistic insight into impact electrolyte ion distribution interfacial solvent...
We recently reported the low-coverage heat of adsorption phenol on Pt(111) facets a Pt wire in aqueous phase to be approximately 21 kJ/mol (relative phenol) basis measurements equilibrium constant. This is much smaller than we for gas-phase at this same low coverage single-crystal under ultrahigh vacuum (200 kJ/mol) calorimetry measurements. Here quantitatively analyze individual contributions that give rise 179 difference using simple pairwise bond-additivity model, taking advantage...
Accurately predicting adsorption energies of oxygenated aromatic and organic molecules on metal catalysts in the aqueous phase is challenging despite its relevance to many catalytic reactions such as biomass hydrogenation hydrodeoxygenation. Here, we report aqueous-phase enthalpies free phenol, benzaldehyde, furfural, benzyl alcohol, cyclohexanol polycrystalline Pt Rh determined via experimental isotherms density functional theory modeling. The heats for all organics are ∼50 250 kJ mol–1...
Abstract Hydrogenation of phenol and the benzaldehyde carbonyl group catalyzed by Pt are structure sensitive in aqueous phase. The intrinsic reaction rates directly proportional to average size particles. This trend is indifferent genesis reduction equivalents, i. e., dissociation H 2 or proton under cathodic potential. It concluded that sensitivity caused ensemble adsorption aromatic molecules, which favored on (100) (111) surfaces larger For electrocatalytic reduction, this implies...
The adsorption equilibrium constants of phenol, benzaldehyde, cyclohexanol, and benzyl alcohol on Pt in aqueous phase have been determined via cyclic voltammetry (CV) measuring the capacity to adsorb hydrogen presence organic molecules. enthalpies adsorbed phenol estimated by this technique were approximately −41 −21 kJ/mol relative for (110)/(100)-like sites (111) facets, respectively. enthalpy (−21 kJ/mol) can be compared gas-phase single-crystal Pt(111) from previous work (−200 understand...
Vanadium redox flow batteries are a promising technology for energy storage, yet the mechanism of kinetically limiting V2+/V3+ reaction remains poorly understood. Here, we elucidate impact anion complexation on kinetics glassy carbon electrode in three common electrolytes: hydrochloric acid, sulfuric and mixed HCl/H2SO4. The ∼2.5 times faster HCl have lower apparent activation energies than those H2SO4 or We also identify presence [V(H2O)4Cl2]+ species by UV–vis spectroscopy. confirm that...
Developing predictive models of solubility is useful for accelerating solvent selection applications ranging from electrochemical conversion organics to pharmaceutical drug development. Herein, we report the development a machine learning (ML) workflow identifying organic co-solvents increase concentration hydrophobic molecules in aqueous mixtures. This task particular interest electrocatalytic biomass and bio-oils into sustainable fuels, which faces challenges due low feedstock. First,...