Data‐Driven Interpretable Descriptors for the Structure–Activity Relationship of Surface Lattice Oxygen on Doped Vanadium Oxides

Selective catalytic oxidation of ammonia to nitric oxide via chemical looping

(2022) Chongyan Ruan et al.   Nature Communications

Interpretable machine learning for knowledge generation in heterogeneous catalysis

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Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity

(2021) Wenbin Xu et al.   ACS Catalysis

Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence

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Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors

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Interpretable Machine Learning of Chemical Bonding at Solid Surfaces

(2021) Noushin Omidvar et al.   Journal of Physical Chemistry Letters

Tailoring catalytic properties of V2O3 to propane dehydrogenation through single-atom doping: A DFT study

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Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces

(2020) Reshma R. Rao et al.   Nature Catalysis

FeO6 Octahedral Distortion Activates Lattice Oxygen in Perovskite Ferrite for Methane Partial Oxidation Coupled with CO2 Splitting

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Coverage‐Dependent Behaviors of Vanadium Oxides for Chemical Looping Oxidative Dehydrogenation

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Characterisation and Reactivity of Oxygen Species at the Surface of Metal Oxides

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Theory-Guided Machine Learning Finds Geometric Structure-Property Relationships for Chemisorption on Subsurface Alloys

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Structure–Performance Relationships for Propane Dehydrogenation over Aluminum Supported Vanadium Oxide

(2019) Chuanye Xiong et al.   ACS Catalysis

Modulating Lattice Oxygen in Dual-Functional Mo–V–O Mixed Oxides for Chemical Looping Oxidative Dehydrogenation

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Definitions, methods, and applications in interpretable machine learning

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Manganese silicate based redox catalysts for greener ethylene production via chemical looping – oxidative dehydrogenation of ethane

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Chemical looping epoxidation

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Alkali Metal-Promoted LaxSr2–xFeO4−δ Redox Catalysts for Chemical Looping Oxidative Dehydrogenation of Ethane

(2018) Yunfei Gao et al.   ACS Catalysis

Chemical looping at the nanoscale — challenges and opportunities

(2018) Amit Mishra et al.   Current Opinion in Chemical Engineering

Perovskites as Geo-inspired Oxygen Storage Materials for Chemical Looping and Three-Way Catalysis: A Perspective

(2018) Xing Zhu et al.   ACS Catalysis

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates

(2018) Runhai Ouyang et al.   PHYSICAL REVIEW MATERIALS

Metal oxide redox chemistry for chemical looping processes

(2018) Liang Zeng et al.   Nature Reviews Chemistry

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

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Charge-transfer-energy-dependent oxygen evolution reaction mechanisms for perovskite oxides

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Rh-promoted mixed oxides for “low-temperature” methane partial oxidation in the absence of gaseous oxidants

(2017) Arya Shafiefarhood et al.   Journal of Materials Chemistry A

A perspective on low-temperature solid oxide fuel cells

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Understanding trends in C–H bond activation in heterogeneous catalysis

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Selective oxidative dehydrogenation of propane to propene using boron nitride catalysts

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Oxidative Dehydrogenation of Ethane: A Chemical Looping Approach

(2016) Luke M. Neal et al.   Energy Technology

Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

(2015) Wesley T. Hong et al.   Energy & Environmental Science

Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides

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Selective oxidation of propene by vanadium oxide monomers supported on silica

(2014) Jianwen Liu et al.   JOURNAL OF CATALYSIS

Critical Literature Review of the Kinetics for the Oxidative Dehydrogenation of Propane over Well-Defined Supported Vanadium Oxide Catalysts

(2014) C. A. Carrero et al.   ACS Catalysis

Kinetic Modeling of Ethane Oxidative Dehydrogenation over VOx/Al2O3 Catalyst in a Fluidized-Bed Riser Simulator

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VOx/c-Al2O3 catalyst for oxidative dehydrogenation of ethane to ethylene: Desorption kinetics and catalytic activity

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Predictive Structure–Reactivity Models for Rapid Screening of Pt-Based Multimetallic Electrocatalysts for the Oxygen Reduction Reaction

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Niobium as promoting agent for selective oxidation reactions

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