Search Results - "Lewis, James P."
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Product Selectivity Controlled by Zeolite Crystals in Biomass Hydrogenation over a Palladium Catalyst
Published in Journal of the American Chemical Society (29-06-2016)“…This work delineates the first example for controlling product selectivity in metal-catalyzed hydrogenation of biomass by zeolite crystals. The key to this…”
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Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters
Published in Journal of the American Chemical Society (19-12-2018)“…We propose a machine-learning model, based on the random-forest method, to predict CO adsorption in thiolate protected nanoclusters. Two phases of feature…”
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Origin of Photocatalytic Activity of Nitrogen-Doped TiO2 Nanobelts
Published in Journal of the American Chemical Society (02-09-2009)“…Experiments combined with the density functional theory (DFT) calculation have been performed to understand the underlying photocatalysis mechanism of the…”
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Shape-Enhanced Photocatalytic Activity of Single-Crystalline Anatase TiO2 (101) Nanobelts
Published in Journal of the American Chemical Society (19-05-2010)“…Particle size is generally considered to be the primary factor in the design of nanocrystal photocatalysts, because the reduction of particle size increases…”
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Artificial intelligence: A powerful paradigm for scientific research
Published in Innovation (New York, NY) (28-11-2021)“…Artificial intelligence (AI) coupled with promising machine learning (ML) techniques well known from computer science is broadly affecting many aspects of…”
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Activity and Selectivity in Nitroarene Hydrogenation over Au Nanoparticles on the Edge/Corner of Anatase
Published in ACS catalysis (01-07-2016)“…Highly selective hydrogenation of molecules containing more than one reducible group is always challenging. Here we report an efficient strategy for rational…”
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Selective Catalytic Production of 5-Hydroxymethylfurfural from Glucose by Adjusting Catalyst Wettability
Published in ChemSusChem (01-02-2014)“…The development of highly‐efficient catalysts for conversion of glucose and fructose to 5‐hydroxymethylfurfural (HMF) is of great importance. In this work,…”
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Batrachochytrium salamandrivorans: The North American Response and a Call for Action
Published in PLoS pathogens (01-12-2015)“… Bsal appears to have originated in Asia, and may have been introduced by humans into wild populations in Europe through commercial trade of amphibians [1]…”
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Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene Photoisomerization
Published in Journal of chemical theory and computation (14-01-2014)“…Structurally, stilbene and azobenzene molecules exist in closed and open cis and trans forms, which are able to transform into each other under the influence…”
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Aerobic homocoupling of phenylboronic acid on Mg–Al mixed-oxides-supported Au nanoparticles
Published in Journal of catalysis (01-02-2013)“…Au nanoparticles highly dispersed on Mg–Al mixed oxides are efficient and stable heterogeneous catalysts for homocoupling of phenylboronic acids. [Display…”
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Superior catalytic properties in aerobic oxidation of olefins over Au nanoparticles on pyrrolidone-modified SBA-15
Published in Journal of catalysis (01-07-2011)“…Au nanoparticles highly dispersed in the mesopores of pyrrolidone (Py)-modified SBA-15 (Au/SBA-15-Py) are efficient and stable heterogeneous catalysts for…”
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Speeding up the prediction of C–O cleavage through bond valence and charge on iron carbides
Published in International journal of minerals, metallurgy and materials (01-10-2023)“…The activation of CO on iron-based materials is a key elementary reaction for many chemical processes. We investigate CO adsorption and dissociation on a…”
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Optical absorption and disorder in delafossites
Published in Applied physics letters (03-07-2017)“…We present compelling experimental results of the optical characteristics of transparent oxide CuGaO2 and related CuGa1-xFexO2 (with 0.00 ≤ x ≤ 0.05 ) alloys,…”
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Slow Relaxation of Surface Plasmon Excitations in Au55: The Key to Efficient Plasmonic Heating in Au/TiO2
Published in The journal of physical chemistry letters (21-04-2016)“…Gold nanoparticles distinguish themselves from other nanoparticles due to their unique surface plasmon resonance properties that can be exploited for a…”
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Magnetic properties of Fe-doped CuAlO2 and role of impurities
Published in AIP advances (01-03-2019)“…The delafossite CuAlO2 is a rare p-type semiconductor with potential applications as a thermoelectric and as a dilute magnetic semiconductor when doped with…”
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Intermolecular Cross-Double-Michael Addition between Nitro and Carbonyl Activated Olefins as a New Approach in C−C Bond Formation
Published in Organic letters (25-10-2007)“…A novel intermolecular cross-double-Michael addition between nitro and carbonyl activated olefins has been developed through Lewis base catalysis. The reaction…”
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Accelerated Discovery of Two-Dimensional Optoelectronic Octahedral Oxyhalides via High-Throughput Ab Initio Calculations and Machine Learning
Published in The journal of physical chemistry letters (07-11-2019)“…Traditional trial-and-error methods are obstacles for large-scale searching of new optoelectronic materials. Here, we introduce a method combining…”
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Solid Base Bi24O31Br10(OH)δ with Active Lattice Oxygen for the Efficient Photo‐Oxidation of Primary Alcohols to Aldehydes
Published in Angewandte Chemie International Edition (06-05-2019)“…The selective oxidation of primary alcohols to aldehydes by O2 instead of stoichiometric oxidants (for example, MnVII, CrVI, and OsIV) is an important but…”
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Effect of Charge Distribution on RDX Adsorption in IRMOF-10
Published in Langmuir (20-04-2010)“…Quantum mechanical (QM) calculations, classical grand canonical Monte Carlo (GCMC) simulations, and classical molecular dynamics (MD) simulations are performed…”
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