Understanding the oxygen-vacancy-related catalytic cycle for H2 oxidation on ceria-based SOFC anode and the promotion effect of lanthanide doping from theoretical perspectives

Enhancing Bifunctional Electrocatalytic Activities of Oxygen Electrodes via Incorporating Highly Conductive Sm3+ and Nd3+ Double-Doped Ceria for Reversible Solid Oxide Cells

(2021) Jeong Hwa Park et al.   ACS Applied Materials & Interfaces

Interplay between Gd and oxygen vacancy on the electronic properties and defect chemistry of Gd-doped CeO2: A DFT+U study

(2020) Xiaoping Han et al.   CHEMICAL PHYSICS

Comprehensive Study of the Ceria–H2 System: Effect of the Reaction Conditions on the Reduction Extent and Intermediates

(2020) D. Schweke et al.   Journal of Physical Chemistry C

Theoretical investigation on H2 oxidation mechanisms over pristine and Sm-doped CeO2(1 1 1) surfaces

(2020) Houyu Zhu et al.   APPLIED SURFACE SCIENCE

Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2(100) Surface: Toward H2 Dissociation and Oxygen Vacancy Formation

(2020) Wei Zhang et al.   LANGMUIR

Oxygen vacancies in metal oxides: recent progress towards advanced catalyst design

(2020) Guoxin Zhuang et al.   Science China-Materials

CeO2(111) Surface with Oxygen Vacancy for Radical Scavenging: A Density Functional Theory Approach

(2020) Robin Lawler et al.   Journal of Physical Chemistry C

Raman Scattering from Cerium Hydride Growth Centers Overlayered by Hydrogen-Incorporated Oxide

(2020) Tsachi Livneh et al.   Journal of Physical Chemistry C

Validation of defect association energy on modulating oxygen ionic conductivity in low temperature solid oxide fuel cell

(2020) Arunkumar Pandiyan et al.   JOURNAL OF POWER SOURCES

Building up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single Atom Catalysts

(2019) xin liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic and geometric factors affecting oxygen vacancy formation on CeO2(111) surfaces: A first-principles study from trivalent metal doping cases

(2019) Qian Gao et al.   APPLIED SURFACE SCIENCE

Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces

(2018) A. Budi et al.   Journal of Physical Chemistry C

A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd

(2018) Jin-Xun Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT insights into oxygen vacancy formation and CH4 activation over CeO2 surfaces modified by transition metals (Fe, Co and Ni)

(2018) Dong Tian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly Active and Stable CH4 Oxidation by Substitution of Ce4+ by Two Pd2+ Ions in CeO2(111)

(2018) Ya-Qiong Su et al.   ACS Catalysis

First-Principles Based Microkinetic Modeling of CO2 Reduction at the Ni/SDC Cathode of a Solid Oxide Electrolysis Cell

(2018) Bohua Ren et al.   Journal of Physical Chemistry C

Design of Effective Catalysts for Selective Alkyne Hydrogenation by Doping of Ceria with a Single-Atom Promotor

(2018) Christopher Riley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

H2 reduction of Gd- and Sm-doped ceria compared to pure CeO2 at high temperatures: effect on structure, oxygen nonstoichiometry, hydrogen solubility and hydroxyl chemistry

(2018) Matthias Grünbacher et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A brief review on ceria based solid electrolytes for solid oxide fuel cells

(2018) Nandini Jaiswal et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst

(2017) Zili Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stable Pd-Doped Ceria Structures for CH4 Activation and CO Oxidation

(2017) Ya-Qiong Su et al.   ACS Catalysis

Enhanced electrical conductivity of doped CeO 2 under millimeter-wave irradiation heating

(2017) Salmie Suhana Binti Che Abdullah et al.   MATERIALS & DESIGN

Impact of the Kohn–Sham Delocalization Error on the 4f Shell Localization and Population in Lanthanide Complexes

(2016) Thomas J. Duignan et al.   Journal of Chemical Theory and Computation

Redox Kinetics Study of Fuel Reduced Ceria for Chemical-Looping Water Splitting

(2016) Zhenlong Zhao et al.   Journal of Physical Chemistry C

On the Nature of Support Effects of Metal Dioxides MO2 (M = Ti, Zr, Hf, Ce, Th) in Single-Atom Gold Catalysts: Importance of Quantum Primogenic Effect

(2016) Yan Tang et al.   Journal of Physical Chemistry C

A DFT+U study on the contribution of 4f electrons to oxygen vacancy formation and migration in Ln-doped CeO2

(2016) M. Alaydrus et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principle study of CO adsorption and oxidation on Sm-doped CeO2(111) surface

(2016) Tao Xie et al.   RSC Advances

Synergistic effects towards H2 oxidation on the Cu–CeO2 electrode: a combination study with DFT calculations and experiments

(2016) Shuang Wang et al.   Journal of Materials Chemistry A

Enhanced ceria based electrolytes by codoping samaria and scandia for intermediate temperature solid oxide fuel cells

(2015) Yun Gan et al.   MATERIALS CHEMISTRY AND PHYSICS

Role of oxygen vacancies in the surface evolution of H at CeO2(111): a charge modification effect

(2015) Xin-Ping Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Progress in material selection for solid oxide fuel cell technology: A review

(2015) Neelima Mahato et al.   PROGRESS IN MATERIALS SCIENCE

Hydrogen activation, diffusion, and clustering on CeO2(111): A DFT+U study

(2014) Delia Fernández-Torre et al.   JOURNAL OF CHEMICAL PHYSICS

Homolytic Products from Heterolytic Paths in H2 Dissociation on Metal Oxides: The Example of CeO2

(2014) Max García-Melchor et al.   Journal of Physical Chemistry C

Theoretical Investigation of H2 Oxidation on the Sr2Fe1.5Mo0.5O6 (001) Perovskite Surface under Anodic Solid Oxide Fuel Cell Conditions

(2014) Suwit Suthirakun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment

(2013) Joachim Paier et al.   CHEMICAL REVIEWS

Recent progress on solid oxide fuel cell: Lowering temperature and utilizing non-hydrogen fuels

(2013) Yicheng Zhao et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A “nano-windmill” driven by a flux of water vapour: a comparison to the rotating ATPase

(2013) Patrycja Nitoń et al.   Nanoscale

Activity Descriptor for Catalytic Reactions on Doped Cerium Oxide

(2013) M. Aryanpour et al.   ACS Catalysis

CO oxidation over CuO/Ce1−xCuxO2−δ and Ce1−xCuxO2−δ catalysts: Synergetic effects and kinetic study

(2012) Ai-Ping Jia et al.   JOURNAL OF CATALYSIS

The Entropies of Adsorbed Molecules

(2012) Charles T. Campbell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design and optimization of a combined fuel reforming and solid oxide fuel cell system with anode off-gas recycling

(2011) Tae Seok Lee et al.   ENERGY CONVERSION AND MANAGEMENT

In search of enhanced electrolyte materials: a case study of doubly doped ceria

(2011) Pratik P. Dholabhai et al.   JOURNAL OF MATERIALS CHEMISTRY

Chemistry of Doped Oxides: The Activation of Surface Oxygen and the Chemical Compensation Effect

(2011) Zhenpeng Hu et al.   Journal of Physical Chemistry C

Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global?

(2011) Zhenpeng Hu et al.   Journal of Physical Chemistry C

A DFT+U study of defect association and oxygen migration in samarium-doped ceria

(2011) Arif Ismail et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lowering the Temperature of Solid Oxide Fuel Cells

(2011) E. D. Wachsman et al.   SCIENCE

Oxygen vacancy migration in ceria and Pr-doped ceria: A DFT+U study

(2010) Pratik P. Dholabhai et al.   JOURNAL OF CHEMICAL PHYSICS

Defect Structure of Ultrathin Ceria Films on Pt(111): Atomic Views from Scanning Tunnelling Microscopy

(2010) David C. Grinter et al.   Journal of Physical Chemistry C

A density functional study of defect migration in gadolinium doped ceria

(2010) Pratik P. Dholabhai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strategies for Lowering Solid Oxide Fuel Cells Operating Temperature

(2009) Albert Tarancón   Energies

Covalent radii revisited

(2008) Beatriz Cordero et al.   DALTON TRANSACTIONS

Development of LSCF–GDC composite cathodes for low-temperature solid oxide fuel cells with thin film GDC electrolyte

(2008) Y LENG et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY