Defect‐Enhanced CO 2 Reduction Catalytic Performance in O‐Terminated MXenes

Two-Dimensional Titanium and Molybdenum Carbide MXenes as Electrocatalysts for CO2 Reduction

(2020) Albertus D. Handoko et al.   iScience

The Role of Defect Sites in Nanomaterials for Electrocatalytic Energy Conversion

(2019) Yi Jia et al.   Chem

MXene (Ti3C2) Vacancy-Confined Single-Atom Catalyst for Efficient Functionalization of CO2

(2019) Di Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte

(2019) Stephanie Nitopi et al.   CHEMICAL REVIEWS

Catalytic Effect on CO2 Electroreduction by Hydroxyl-Terminated Two-Dimensional MXenes

(2019) Hetian Chen et al.   ACS Applied Materials & Interfaces

pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes

(2019) Rina Ibragimova et al.   ACS Nano

Self-assembled core-shell polydopamine@MXene with synergistic solar absorption capability for highly efficient solar-to-vapor generation

(2019) Xing Zhao et al.   Nano Research

Highly conductive dodecaborate/MXene composites for high performance supercapacitors

(2019) Zhenxing Li et al.   Nano Research

Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO2 Reduction to CH4

(2018) Yifei Wang et al.   ACS Catalysis

High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification

(2018) Pengkun Li et al.   Journal of Materials Chemistry A

Establishing new scaling relations on two-dimensional MXenes for CO2 electroreduction

(2018) Albertus D. Handoko et al.   Journal of Materials Chemistry A

Double-slit photoelectron interference in strong-field ionization of the neon dimer

(2018) Maksim Kunitski et al.   Nature Communications

Carbon vacancies in Ti2CT2 MXenes: defects or a new opportunity?

(2017) Tao Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Electrochemical Reduction of CO2 Using Copper Single-Crystal Surfaces: Effects of CO* Coverage on the Selective Formation of Ethylene

(2017) Yun Huang et al.   ACS Catalysis

Theoretical Investigations into Defected Graphene for Electrochemical Reduction of CO2

(2017) Samira Siahrostami et al.   ACS Sustainable Chemistry & Engineering

Ti2CO2 MXene: a highly active and selective photocatalyst for CO2 reduction

(2017) Xu Zhang et al.   Journal of Materials Chemistry A

Ultrastable atomic copper nanosheets for selective electrochemical reduction of carbon dioxide

(2017) Lei Dai et al.   Science Advances

Atomic Defects in Monolayer Titanium Carbide (Ti3C2Tx) MXene

(2016) Xiahan Sang et al.   ACS Nano

Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide

(2016) Dong Dong Zhu et al.   ADVANCED MATERIALS

Metal-free Nanoporous Carbon as a Catalyst for Electrochemical Reduction of CO2to CO and CH4

(2016) Wanlu Li et al.   ChemSusChem

Mechanistic Insights into the Selective Electroreduction of Carbon Dioxide to Ethylene on Cu2O-Derived Copper Catalysts

(2016) Albertus D. Handoko et al.   Journal of Physical Chemistry C

Bending Two-Dimensional Materials To Control Charge Localization and Fermi-Level Shift

(2016) Liping Yu et al.   NANO LETTERS

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration

(2016) Min Liu et al.   NATURE

Site-projected electronic structure of two-dimensional Ti3C2 MXene: the role of the surface functionalization groups

(2016) Damien Magne et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons

(2016) Mu-Jeng Cheng et al.   ACS Catalysis

Recent Advances in Breaking Scaling Relations for Effective Electrochemical Conversion of CO2

(2016) Yawei Li et al.   Advanced Energy Materials

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

(2016) Zhi Wei Seh et al.   ACS Energy Letters

Nitrogen-Doped Carbon Nanotube Arrays for High-Efficiency Electrochemical Reduction of CO2: On the Understanding of Defects, Defect Density, and Selectivity

(2015) Pranav P. Sharma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Direct Measurement of Surface Termination Groups and Their Connectivity in the 2D MXene V2CTx Using NMR Spectroscopy

(2015) Kristopher J. Harris et al.   Journal of Physical Chemistry C

Incorporation of Nitrogen Defects for Efficient Reduction of CO2 via Two-Electron Pathway on Three-Dimensional Graphene Foam

(2015) Jingjie Wu et al.   NANO LETTERS

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

(2015) Federico Calle-Vallejo et al.   Nature Chemistry

Impacts of electrode potentials and solvents on the electroreduction of CO2: a comparison of theoretical approaches

(2015) Stephan N. Steinmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of oxygen-deficientLaNiO3structures

(2015) Andrei Malashevich et al.   PHYSICAL REVIEW B

Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening?

(2013) Thomas W. Hansen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2−xNx(OH)2 from DFTB calculations

(2013) A.N. Enyashin et al.   JOURNAL OF SOLID STATE CHEMISTRY

Electronic structure of N-doped graphene with native point defects

(2013) Zhufeng Hou et al.   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

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structure sensitivity and nanoscale effects in electrocatalysis

(2011) Marc T. M. Koper   Nanoscale

From Point Defects in Graphene to Two-Dimensional Amorphous Carbon

(2011) J. Kotakoski et al.   PHYSICAL REVIEW LETTERS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS