Defect engineering for high-selection-performance of NO reduction to NH3 over CeO2 (111) surface: A DFT study

Ag (111) surface for ambient electrolysis of nitrogen to ammonia

(2021) Jin-Rong Huo et al.   JOURNAL OF MOLECULAR MODELING

Doping-Induced Combined Fano and Phonon Confinement Effect in La-Doped CeO2: Raman Spectroscopy Analysis

(2021) Minal Gupta et al.   Journal of Physical Chemistry C

Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

(2021) Ling Fu et al.   CHEMICAL ENGINEERING JOURNAL

Fe-embedded Au (111) monolayer as an electrocatalyst for N2 reduction reaction: A first-principles investigation

(2021) Ling Fu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Single atom catalytic oxidation mechanism of formaldehyde on Al doped graphene at room temperature

(2020) Guanlan Liu et al.   CHINESE CHEMICAL LETTERS

Recent advances of MXene as promising catalysts for electrochemical nitrogen reduction reaction

(2020) Jie Sun et al.   CHINESE CHEMICAL LETTERS

Tackling the Activity and Selectivity Challenges of Electrocatalysts towards Nitrogen Reduction Reaction via Atomically Dispersed Bi-Atom Catalysts

(2020) Xiangyu Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

(2020) Chaozheng He et al.   APPLIED SURFACE SCIENCE

Two-dimensional 1T-PS2 as a promising anode material for sodium-ion batteries with ultra-high capacity, low average voltage and appropriate mobility

(2020) Dawei Zhou et al.   CHINESE CHEMICAL LETTERS

Theoretical Investigation of Single and Double Transition Metals Anchored on Graphyne Monolayer for Nitrogen Reduction Reaction

(2020) Lakshitha Jasin Arachchige et al.   Journal of Physical Chemistry C

FeTe2 as an earth-abundant metal telluride catalyst for electrocatalytic nitrogen fixation

(2020) Yonghua Cheng et al.   Journal of Energy Chemistry

Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters

(2020) Megan C. Wasson et al.   CHEMISTRY OF MATERIALS

Potential active sites of Mo single atoms for electrocatalytic reduction of N2

(2020) Lei Chen et al.   CHINESE CHEMICAL LETTERS

Vacancy-Enabled Mesoporous TiO2 Modulated by Nickel Doping with Enhanced Photocatalytic Nitrogen Fixation Performance

(2020) Jiaxin Li et al.   ACS Sustainable Chemistry & Engineering

Oxygen Vacancies of Cr-Doped CeO2 Nanorods That Efficiently Enhance the Performance of Electrocatalytic N2 Fixation to NH3 under Ambient Conditions

(2019) Hongtao Xie et al.   INORGANIC CHEMISTRY

Design of a High-Performance Electrocatalyst for N2 Conversion to NH3 by Trapping Single Metal Atoms on Stepped CeO2

(2019) Jiamin Qi et al.   ACS Applied Materials & Interfaces

Doping effects on the structure and electrical properties of La2Ce2O7 proton conductors

(2019) Javier Zamudio-García et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

(2018) Lichen Liu et al.   CHEMICAL REVIEWS

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

Nitrogen fixation and reduction at boron

(2018) Marc-André Légaré et al.   SCIENCE

Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism

(2018) Jin-Cheng Liu et al.   Nature Communications

Favoring the unfavored: Selective electrochemical nitrogen fixation using a reticular chemistry approach

(2018) Hiang Kwee Lee et al.   Science Advances

Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light

(2018) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Magnetic properties of RCoO3 cobaltites (R = La, Pr, Nd, Sm, Eu). Effects of hydrostatic and chemical pressure

(2018) A.S. Panfilov et al.   PHYSICA B-CONDENSED MATTER

Ceria Catalysts at Nanoscale: How Do Crystal Shapes Shape Catalysis?

(2017) Alessandro Trovarelli et al.   ACS Catalysis

Ab initio study of ceria films for resistive switching memory applications

(2017) Mehreen Firdos et al.   Materials Research Express

Fundamentals and Catalytic Applications of CeO2-Based Materials

(2016) Tiziano Montini et al.   CHEMICAL REVIEWS

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

(2016) Tao Xie et al.   RSC Advances

Heterogeneous Mercury Oxidation by HCl over CeO2 Catalyst: Density Functional Theory Study

(2015) Bingkai Zhang et al.   Journal of Physical Chemistry C

Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects

(2014) Danny E. P. Vanpoucke et al.   Journal of Materials Chemistry A

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

(2013) Joachim Paier et al.   CHEMICAL REVIEWS

Metal oxide resistive memory switching mechanism based on conductive filament properties

(2011) G. Bersuker et al.   JOURNAL OF APPLIED PHYSICS

Kinetic Monte Carlo model of defect transport and irradiation effects in La-doped CeO2

(2011) Aaron Oaks et al.   JOURNAL OF NUCLEAR MATERIALS

Oxygen Vacancy Clusters Promoting Reducibility and Activity of Ceria Nanorods

(2009) Xiangwen Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience