A5015058794- Catalysis and Hydrodesulfurization Studies
- Catalytic Processes in Materials Science
- Cyclone Separators and Fluid Dynamics
- Catalysts for Methane Reforming
- Particle Dynamics in Fluid Flows
- Granular flow and fluidized beds
- Catalysis for Biomass Conversion
- Thermochemical Biomass Conversion Processes
- X-ray Diffraction in Crystallography
- Carbon dioxide utilization in catalysis
- Zeolite Catalysis and Synthesis
- Catalysis and Oxidation Reactions
- Lignin and Wood Chemistry
- Adsorption and biosorption for pollutant removal
- Asymmetric Hydrogenation and Catalysis
- Nanomaterials for catalytic reactions
Open Source Science Project
2024
Mississippi State University
2017-2020
Indian Institute of Technology Guwahati
2014-2017
A seventh blind test of crystal structure prediction has been organized by the Cambridge Crystallographic Data Centre. The results are presented in two parts, with this second part focusing on methods for ranking structures order stability. exercise involved standardized sets seeded from a range generation methods. Participants 22 groups applied several periodic DFT-D methods, machine learned potentials, force fields derived empirical data or quantum chemical calculations, and various...
Compositional variation in Fe<sub>X</sub>Mo<sub>2−X</sub>P catalysts alters their Lewis acidities, leading to modulated catalytic performance the hydrodeoxygenation of phenol.
The catalytic properties of monometallic and bimetallic Ru Mo phosphides were evaluated for their ability to selectively hydrogenate furfural furfuryl alcohol.
Different binding modes of the reactant on different catalysts determine hydrodeoxygenation selectivity.
Metal phosphides have been investigated as promising catalysts for many hydrogenation reactions, including CO2 reduction. Due to the vast compositional space available discover active and selective transition metal phosphide energy-related we report a variety of Mo-based Ru-based methanol in 1,4-dioxane (200 °C, 1 MPa CO2, 3 H2). We determined that from monometallic studied (MoP, Mo3P, RuP, Ru2P), MoP Mo3P displayed higher production rates than RuP or Ru2P. However, with addition Ru form...
Lignin as a potential renewable source of biofuels, chemicals, and other value-added products has gained much attention. However, the complexity lignin structure poses significant challenge for developing efficient valorization techniques. As most processes involve solvothermal conditions to minimize energy cost, depolymerization is governed by reaction (temperature pressure) solvents. In this work, binding β-O-4 linkage consisting dimers on MWW two-dimensional (2D) zeolite investigated...