Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Multivariate Bayesian Optimization of CoO Nanoparticles for CO 2 Hydrogenation Catalysis

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/jacs.4c03789· OSTI ID:2349137
 [1];  [1];  [2];  [1];  [1];  [3];  [3];  [2];  [2];  [2];  [4];  [2];  [1]
  1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States
  2. Catalytic Carbon Transformation and Scale-Up Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States
  3. Materials Science Center, National Renewable Energy Laboratory, Golden, Colorado 80401, United States
  4. Department of Chemistry; University of Southern California; Los Angeles; California 90089; United States; Mork Family Department of Chemical Engineering and Materials Science; University of Southern California; Los Angeles; California 90089; United States; Department of Biomedical Engineering; University of Southern California; Los Angeles; California 90089; United States; USC Norris Comprehensive Cancer Center; University of Southern California; 1441 Eastlake Avenue; Los Angeles; California 90033; United States

Not Available

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Grant/Contract Number:
SC0006812; SC0006812
OSTI ID:
2349137
Alternate ID(s):
OSTI ID: 2370392
OSTI ID: 3013918
OSTI ID: 2356756
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 20 Vol. 146; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (60)

Water-Enhanced Synthesis of Higher Alcohols from CO 2 Hydrogenation over a Pt/Co 3 O 4 Catalyst under Milder Conditions journal November 2015
Selective Hydrogenation of CO 2 to Ethanol over Cobalt Catalysts journal April 2018
The Interplay between Structure and Product Selectivity of CO 2 Hydrogenation journal June 2019
The Role of Water for the Phase-Selective Preparation of Hexagonal and Cubic Cobalt Oxide Nanoparticles journal April 2011
Size and Shape Control of Metal Nanoparticles for Reaction Selectivity in Catalysis journal August 2012
Shape Control of Colloidal Metal Nanocrystals journal March 2008
Synthesis, characterization, and catalytic properties of clean and oxygen-modified tungsten carbides journal June 1992
Novel aspects of the physical chemistry of Co/SiO2 Fischer–Tropsch catalyst preparations journal January 2007
Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni journal January 2011
On the link between CO surface coverage and selectivity to CH4 during CO2 hydrogenation over supported cobalt catalysts journal July 2022
Shape-controlled synthesis of cobalt oxide nanocrystals using cobalt acetylacetonate journal February 2010
Data-Driven Strategies for Accelerated Materials Design journal February 2021
Activating Molybdenum Carbide Nanoparticle Catalysts under Mild Conditions Using Thermally Labile Ligands journal September 2022
Design of Experiments for Nanocrystal Syntheses: A How-To Guide for Proper Implementation journal November 2022
Best Practices for the Reporting of Colloidal Inorganic Nanomaterials journal July 2015
Controlled Design of Phase- and Size-Tunable Monodisperse Ni 2 P Nanoparticles in a Phosphonium-Based Ionic Liquid through Response Surface Methodology journal February 2019
Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites journal December 2019
Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis journal February 2020
Effect of the Size and Shape on the Electrocatalytic Activity of Co3O4 Nanoparticles in the Oxygen Evolution Reaction journal June 2020
Cobalt Catalysts Enable Selective Hydrogenation of CO2 toward Diverse Products: Recent Progress and Perspective journal October 2021
Tandem Catalysis for CO 2 Hydrogenation to C 2 –C 4 Hydrocarbons journal May 2017
Size-Dependent Catalytic Activity of Monodispersed Nickel Nanoparticles for the Hydrolytic Dehydrogenation of Ammonia Borane journal December 2017
The Vital Role of Step-Edge Sites for Both CO Activation and Chain Growth on Cobalt Fischer–Tropsch Catalysts Revealed through First-Principles-Based Microkinetic Modeling Including Lateral Interactions journal July 2020
Enumerating Active Sites on Metal Nanoparticles: Understanding the Size Dependence of Cobalt Particles for CO Dissociation journal June 2021
Exploring the Composition Space of High-Entropy Alloy Nanoparticles for the Electrocatalytic H2/CO Oxidation with Bayesian Optimization journal September 2022
Surface Analogues of Molecular Frustrated Lewis Pairs in Heterogeneous CO 2 Hydrogenation Catalysis journal August 2016
Revealing the Synergy between Oxide and Alloy Phases on the Performance of Bimetallic In–Pd Catalysts for CO 2 Hydrogenation to Methanol journal March 2019
Particle-Size-Dependent Methane Selectivity Evolution in Cobalt-Based Fischer–Tropsch Synthesis journal January 2020
Novel Heterogeneous Catalysts for CO 2 Hydrogenation to Liquid Fuels journal September 2020
How To Optimize Materials and Devices via Design of Experiments and Machine Learning: Demonstration Using Organic Photovoltaics journal July 2018
Tuning the CO2 Hydrogenation Activity and Selectivity by Highly Dispersed Ni–In Intermetallic Alloy Compounds journal December 2023
Syntheses and Characterization of Wurtzite CoO, Rocksalt CoO, and Spinel Co 3 O 4 Nanocrystals: Their Interconversion and Tuning of Phase and Morphology journal August 2010
Synthesis of Monodisperse Nanocrystals of Manganese Oxides journal August 2003
Evidence of Highly Active Cobalt Oxide Catalyst for the Fischer–Tropsch Synthesis and CO 2 Hydrogenation journal January 2014
Size-Dependent Catalytic Activity and Dynamics of Gold Nanoparticles at the Single-Molecule Level journal January 2010
Unraveling Nanoscale Cobalt Oxide Catalysts for the Oxygen Evolution Reaction: Maximum Performance, Minimum Effort journal September 2021
Surfactants Used in Colloidal Synthesis Modulate Ni Nanoparticle Surface Evolution for Selective CO2 Hydrogenation journal June 2023
Predictive Synthesis of Copper Selenides Using a Multidimensional Phase Map Constructed with a Data-Driven Classifier journal August 2023
Nature of Catalytic Behavior of Cobalt Oxides for CO2 Hydrogenation journal February 2023
Wurtzite-to-Rocksalt Structural Transformation in Nanocrystalline CoO journal November 2006
Size-Controlled Model Co Nanoparticle Catalysts for CO 2 Hydrogenation: Synthesis, Characterization, and Catalytic Reactions journal May 2012
Physico-Chemical and Catalytic Study of the Co/SiO2Catalysts journal March 2004
Uncovering the reaction mechanism behind CoO as active phase for CO2 hydrogenation journal January 2022
Two-step machine learning enables optimized nanoparticle synthesis journal April 2021
Machine learning for molecular and materials science journal July 2018
Illuminating CO 2 reduction on frustrated Lewis pair surfaces: investigating the role of surface hydroxides and oxygen vacancies on nanocrystalline In 2 O 3−x (OH) y journal January 2015
State of the art and perspectives in heterogeneous catalysis of CO 2 hydrogenation to methanol journal January 2020
Creating ground truth for nanocrystal morphology: a fully automated pipeline for unbiased transmission electron microscopy analysis journal January 2022
Chemically-informed data-driven optimization (ChIDDO): leveraging physical models and Bayesian learning to accelerate chemical research journal January 2022
Size matters: why nanomaterials are different journal January 2006
Controlled synthesis of monodisperse manganese oxide nanocrystals journal January 2009
Size dependent reduction–oxidation–reduction behaviour of cobalt oxide nanocrystals journal January 2013
Controlled synthesis and anomalous magnetic properties of relatively monodisperse CoO nanocrystals journal August 2005
Evidence of Two Forms of Cobaltous Oxide journal April 1968
EXPGUI , a graphical user interface for GSAS journal April 2001
Taking the Human Out of the Loop: A Review of Bayesian Optimization journal January 2016
Machine learning–accelerated design and synthesis of polyelemental heterostructures journal December 2021
Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts journal March 2017
DoE-It-Yourself: A Case Study for Implementing Design of Experiments into Nanoparticle Synthesis preprint November 2022
Synthesis-Structure-Activity Relationships in Co3O4 Catalyzed CO Oxidation journal May 2018

Similar Records

Related Subjects