top of page
Oxidized graphene

Publications

2024

Ligand-modified nanoparticle surfaces influence CO electroreduction selectivity
Validating ΔΔG Selectivity Descriptor for Electrosynthesis of H2O2 from Oxygen Reduction Reaction
Cation Effects on the Acidic Oxygen Reduction Reaction at Carbon Surfaces
Pd 4d Orbital Overlapping Modulation on Au@Pd Nanowires for Efficient H2O2 Production
The success of computational material design for sustainable energy catalysis

2023

Cascade electrocatalysis via AgCu single-atom alloy and Ag nanoparticles in CO2 electroreduction tow
CombinedHigh-ThroughputDFT and ML Screeningof TransitionMetalNitridesfor Electrochemical CO2 Reducti
Hydrogen Peroxide Electrosynthesis and Emerging Applications, Challenges and Opportunities: A Comput
Bioinspired multimetal electrocatalyst for selective methane oxidation
Creating Order in Ultrastable Phosphonate Metal–Organic Frameworks via Isolable Hydrogen-Bonded Inte
ExperimentalandComputationalInsightsintotheOverallWaterSplittingReactionbytheFe−Co−Ni−PElectrocataly
Copper-based metal–organic frameworks for CO2 reduction: selectivity trends, design paradigms, and p
Uncovering the role of Lewis and Brønsted acid sites in perforated SAPO-34 with an enhanced lifetime
Insights into Electrochemical CO2 Reduction on SnS2: Main Product Switch from Hydrogen to Formate by
Unravelling catalytic activity trends in ceria surfaces toward the oxygen reduction and water oxidat
High-performance zinc–air batteries enabled by hybridizing atomically dispersed FeN2 with Co3O4 nano
A MolecularInsightinto the Dehydrationof a Metal–OrganicFrameworkand its Impacton the CO2 Capture

2022

Discovery of LaAlO3 as an efficient catalyst for two-electron water electrolysis towards hydrogen pe
Why Copper Catalyzes Electrochemical Reduction of Nitrate to Ammonia
Rechargeable Metal–Hydrogen Peroxide Battery, A Solution to Improve the Metal–Air Battery Performanc
Elucidation and modulation of active sites in holey graphene electrocatalysts for H2O2 production
Rational design of carbon nitride for remarkable photocatalytic H2O2 production
https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cctc.202101763
Enhancing Oxygen Reduction Reaction Activity Using Single Atom Catalyst Supported on Tantalum Pentox
Cu-doped Ba0.5Sr0.5FeO3-δfor electrochemical synthesis ofhydrogen peroxide via a 2-electron oxygen r
Elaborating Nitrogen and Oxygen Dopants Configurations within Graphene Electrocatalysts for Two-Elec
Two-Dimensional Metal–Organic 1 Frameworks with Unique Oriented 2 Layers for Oxygen Reduction 3 Reac

2021

High-Performance Zinc-Air Batteries Based on Bifunctional Hierarchically Porous Nitrogen-Doped Carbo
SnO2-supported single metal atoms: a bifunctional catalyst for the electrochemical synthesis of H2O2
Electrochemical ammonia synthesis via nitrate reduction on Fe single atom catalyst
Ligand-Engineered Metal−Organic Frameworks for Electrochemical Reduction of Carbon Dioxide to Carbon
The role of Pt ina-MoC on thewater-gas shift reactionat low temperatures
Ternary cobalt–iron sulfide as a robust electrocatalyst for water oxidation: A dual effect from surf
Coproduction of hydrogen and lactic acidfrom glucose photocatalysis on band-engineeredZn1-xCdxS homo
High-ThroughputElectron DiffractionReveals aHidden NovelMetal-Organic Framework forElectrocatalysis

2020

Mechanochemistry for ammonia synthesis under mild conditions
Promoting H2O2 production via 2-electron oxygen reduction by coordinating partially oxidized Pd with
Confined local oxygen gas promotes electrochemical water oxidation to hydrogen peroxide
Building and identifying highly active oxygenated groups in carbon materials for oxygen reduction to
Electrochemical Synthesis of H2O2 by Two-Electron Water Oxidation Reaction
Oxidized Surface Layer on Transition Metal Nitrides: Active Catalysts for the Oxygen Reduction React
Circumventing Scaling Relations in Oxygen Electrochemistry Using Metal−Organic Frameworks
Orbital graph convolutional neural network for material property prediction
A Porphyrinic Zirconium Metal−Organic Framework for Oxygen Reduction Reaction: Tailoring the Spacing
Heteroatom-Doped Transition Metal Nitrides for CO Electrochemical Reduction: A Density Functional Th
A Review on Challenges and Successes in Atomic-Scale Design of Catalysts for Electrochemical Synthes
Development of Fukui Function Based Descriptors for a Machine Learning Study of CO2 Reduction
A review on electrocatalytic oxidation of methane to oxygenates
Effect of Adventitious Carbon on Pit Formation of Monolayer MoS2
In Situ X‑Ray Absorption Spectroscopy Disentangles the Roles of Copper and Silver in a Bimetallic Ca

2019

Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination
Improved Oxygen Reduction Reaction Activity of Nanostructured CoS2 through Electrochemical Tuning
Designing Carbon-Based Materials for Efficient Electrochemical Reduction of CO2
Prediction of Stable and Active (Oxy-Hydro) Oxide Nanoislands on Noble-Metal Supports for Electroche
Precious Metal-Free Nickel Nitride Catalyst for the Oxygen Reduction Reaction
ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide
Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O2
CaSnO3: An Electrocatalyst for Two-Electron Water Oxidation Reaction to Form H2O2

2018

High-efficiency oxygen reduction to hydrogen peroxide catalysed by oxidized carbon materials
Isolated Ni single atoms in graphene nanosheets for high-performance CO2 reduction
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydro
An Ultra-Thin Cobalt-Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for Oxygen Reduct
Single Metal Atoms Anchored in Two‐Dimensional Materials: Bifunctional Catalysts for Fuel Cell Appli
Defective Carbon-Based Materials for the Electrochemical Synthesis of Hydrogen Peroxide
Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkali
Introducing Fe2+ into Nickel-Iron Layered Double Hydroxide: Local Structure Modulated Water Oxidatio
Noble metal supported hexagonal boron nitride for the oxygen reduction reaction: a DFT study
Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes
Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts
Light-Driven BiVO4-C Fuel Cell with Simultaneous Production of H2O2
Enhancing Catalytic Activity of MoS2 Basal Plane S-Vacancy by Co Cluster Addition
Nature of Lone-Pair–Surface Bonds and Their Scaling Relations

2017

Understanding activity trends in electrochemical water oxidation to form hydrogen peroxide
Cation-exchanged zeolites for the selective oxidation of methane to methanol
Transition-Metal Single Atoms in a Graphene Shell as Active Centers for Highly Efficient Artificial
Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in
One- or Two-Electron Water Oxidation, Hydroxyl Radical, or H2O2 Evolution
Theoretical Investigations into Defected Graphene for Electrochemical Reduction of CO2
High-performance oxygen reduction and evolution carbon catalysis: From mechanistic studies to device
Development of a reactor with carbon catalysts for modular-scale, low-cost electrochemical generatio
Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double
Trends in Adsorption Energies of the Oxygenated Species on Single Platinum Atom Embedded in Carbon N

2016

Cation-exchanged zeolites for the selective oxidation of methane to methanol
Two-Dimensional Materials as Catalysts for Energy Conversion
Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen
Structural and Energetic Trends of Ethylene Hydrogenation over Transition Metal Surfaces

2014-2015

H2 production through electro-oxidation of SO2: identifying the fundamental limitations
Trends in the Electrochemical Synthesis of H2O2: Enhancing Activity and Selectivity by Electrocataly
Catalytic hydrogenation of C=C and C=O in unsaturated fatty acid methyl esters
Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides

2010-2013

Enabling direct H2O2 production through rational electrocatalyst design
Tandem cathode for proton exchange membrane fuel cells
First principles investigation of zinc-anode dissolution in zinc–air batteries
Activity and Selectivity for O2 Reduction to H2O2 on Transition Metal Surfaces
SO2 – an indirect source of energy
The oxygen reduction reaction mechanism on Pt(1 1 1) from density functional theory calculations
An Insight into Microscopic Properties of Aprotic Ionic Liquids: A DFT Study
bottom of page