Unravelling electrocatalytic properties of metal porphyrin-like complexes hosted in graphene matrices

Proving the existence of Mn porphyrin-like complexes hosted in reduced graphene oxide with outstanding performance as oxygen reduction reaction catalysts

(2019) Nadia Garino et al.   2D Materials

Structural Design and Electrochemical Performance of PANI/CNTs and MnO2/CNTs Supercapacitor

(2019) Guo-Ting Xia et al.   Science of Advanced Materials

Visible and infrared photocurrent enhancement in a graphene-silicon Schottky photodetector through surface-states and electric field engineering

(2019) Nawapong Unsuree et al.   2D Materials

Graphene-based spinmechatronic valve

(2019) Ali Hallal   2D Materials

Manganese deception on graphene and implications in catalysis

(2018) Ruquan Ye et al.   CARBON

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Surface and Interface Engineering in Copper-Based Bimetallic Materials for Selective CO 2 Electroreduction

(2018) Anthony Vasileff et al.   Chem

Emerging Carbon-Based Heterogeneous Catalysts for Electrochemical Reduction of Carbon Dioxide into Value-Added Chemicals

(2018) Jingjie Wu et al.   ADVANCED MATERIALS

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Complexes of graphene nanoribbons with porphyrins and metal-encapsulated C28 as molecular rectifiers: a theoretical study

(2017) Filiberto Montiel et al.   MOLECULAR SIMULATION

CO2 electroreduction performance of a single transition metal atom supported on porphyrin-like graphene: a computational study

(2017) Zhongxu Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Pronounced Effects of a Triazine Core on Photovoltaic Performance-Efficient Organic Solar Cells Enabled by a PDI Trimer-Based Small Molecular Acceptor

(2016) Yuwei Duan et al.   ADVANCED MATERIALS

Multifunctional Carbon-Based Metal-Free Electrocatalysts for Simultaneous Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution

(2016) Chuangang Hu et al.   ADVANCED MATERIALS

Nitrogen, Phosphorus, and Fluorine Tri-doped Graphene as a Multifunctional Catalyst for Self-Powered Electrochemical Water Splitting

(2016) Jintao Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Gross-Margin Model for Defining Technoeconomic Benchmarks in the Electroreduction of CO2

(2016) Sumit Verma et al.   ChemSusChem

How molecular is the chemisorptive bond?

(2016) R. A. van Santen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rational design of common transition metal-nitrogen-carbon catalysts for oxygen reduction reaction in fuel cells

(2016) Yongping Zheng et al.   Nano Energy

Carbon-based metal-free catalysts

(2016) Xien Liu et al.   Nature Reviews Materials

Metal-Free Catalysts for Oxygen Reduction Reaction

(2015) Liming Dai et al.   CHEMICAL REVIEWS

Tailoring Metal-Porphyrin-Like Active Sites on Graphene to Improve the Efficiency and Selectivity of Electrochemical CO2 Reduction

(2015) Mu-Jeng Cheng et al.   Journal of Physical Chemistry C

Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide

(2015) Ruud Kortlever et al.   Journal of Physical Chemistry Letters

Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway

(2015) Juan Liu et al.   SCIENCE

Atomic cobalt on nitrogen-doped graphene for hydrogen generation

(2015) Huilong Fei et al.   Nature Communications

Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory

(2014) Xiaowa Nie et al.   JOURNAL OF CATALYSIS

New Insights into the Oxygen Reduction Reaction Mechanism on Pt (111): A Detailed Electrochemical Study

(2013) Ana M. Gómez-Marín et al.   ChemSusChem

Electrochemical CO2 and CO Reduction on Metal-Functionalized Porphyrin-like Graphene

(2013) Vladimir Tripkovic et al.   Journal of Physical Chemistry C

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

The thermal stability of graphene in air investigated by Raman spectroscopy

(2013) Hai Yan Nan et al.   JOURNAL OF RAMAN SPECTROSCOPY

Correlations between Mass Activity and Physicochemical Properties of Fe/N/C Catalysts for the ORR in PEM Fuel Cell via 57Fe Mössbauer Spectroscopy and Other Techniques

(2013) Ulrike I. Kramm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

A Molecular Perspective on the d-Band Model: Synergy Between Experiment and Theory

(2013) Lars Gunnar Moody Pettersson et al.   TOPICS IN CATALYSIS

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

(2012) Kendra P. Kuhl et al.   Energy & Environmental Science

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

Electrocatalytically Active Graphene–Porphyrin MOF Composite for Oxygen Reduction Reaction

(2012) Maryam Jahan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mn3O4 Supported on Glassy Carbon: An Active Non-Precious Metal Catalyst for the Oxygen Reduction Reaction

(2012) Yelena Gorlin et al.   ACS Catalysis

Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations

(2011) Patrick H.-L. Sit et al.   INORGANIC CHEMISTRY

Graphene-Based Nanoassemblies for Energy Conversion

(2011) Prashant V. Kamat   Journal of Physical Chemistry Letters

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER