Single-atom iron as a promising low-temperature catalyst for selective catalytic reduction of NO with NH3: A theoretical prediction

Experimental and Density Functional Theory Studies on the Zeolite-Based Fe–Ni–W Trimetallic Catalyst for High-Temperature NOx Selective Catalytic Reduction: Identification of Active Sites Suppressing Ammonia Over-oxidation

(2021) Hanzi Liu et al.   ACS Catalysis

CO2 hydrogenation to formic acid over platinum cluster doped defective graphene: A DFT study

(2020) Ge Yan et al.   APPLIED SURFACE SCIENCE

Nanocasting SiO2 into metal–organic frameworks imparts dual protection to high-loading Fe single-atom electrocatalysts

(2020) Long Jiao et al.   Nature Communications

Electroplating sludge-derived spinel catalysts for NO removal via NH3 selective catalysis reduction

(2020) Senyuan Shen et al.   APPLIED SURFACE SCIENCE

Quantum chemical accuracy from density functional approximations via machine learning

(2020) Mihail Bogojeski et al.   Nature Communications

Experimental and density functional theory study of the influence mechanism of oxygen on NO heterogeneous reduction in deep air-staged combustion

(2020) Ping Chen et al.   COMBUSTION AND FLAME

Mechanism study on CO2 reforming of methane over platinum cluster doped graphene: A DFT calculation

(2020) Ge Yan et al.   Molecular Catalysis

Directly catalytic reduction of NO without NH3 by single atom iron catalyst: A DFT calculation

(2019) Weijie Yang et al.   FUEL

Selective Catalytic Reduction of NOx with NH3 by Using Novel Catalysts: State of the Art and Future Prospects

(2019) Lupeng Han et al.   CHEMICAL REVIEWS

DFT Analysis of the Reaction Mechanism for NH3-SCR of NOx over Mn/γ-Al2O3 Catalyst

(2019) Xin Li et al.   Journal of Physical Chemistry C

Regulating the coordination structure of single-atom Fe-NxCy catalytic sites for benzene oxidation

(2019) Yuan Pan et al.   Nature Communications

A critical review on the method of simultaneous removal of multi-air-pollutant in flue gas

(2019) Han Wang et al.   CHEMICAL ENGINEERING JOURNAL

Radical-induced oxidation removal of multi-air-pollutant: A critical review

(2019) Bo Yuan et al.   JOURNAL OF HAZARDOUS MATERIALS

Asymmetric Oxygen Vacancies: the Intrinsic Redox Active Sites in Metal Oxide Catalysts

(2019) Kai Yu et al.   Advanced Science

Theoretical prediction of graphene-based single-atom iron as a novel catalyst for catalytic oxidation of Hg0 by O2

(2019) Weijie Yang et al.   APPLIED SURFACE SCIENCE

Support effects in single atom iron catalysts on adsorption characteristics of toxic gases (NO 2 , NH 3 , SO 3 and H 2 S)

(2018) Zhengyang Gao et al.   APPLIED SURFACE SCIENCE

Conventional and New Materials for Selective Catalytic Reduction (SCR) of NO x

(2018) Yu Liu et al.   ChemCatChem

A skeletal reaction scheme for selective catalytic reduction of NO x with NH 3 over CeO 2 /TiO 2 catalyst

(2018) Yingju Yang et al.   FUEL PROCESSING TECHNOLOGY

Different copper species as active sites for NH 3 -SCR reaction over Cu-SAPO-34 catalyst and reaction pathways: A periodic DFT study

(2018) Guangpeng Yang et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Theoretical investigation of selective catalytic reduction of NO on MIL-100-Fe

(2018) Minhua Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Support effects on adsorption and catalytic activation of O2 in single atom iron catalysts with graphene-based substrates

(2018) Zheng-yang Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Iron oxide-based catalysts for low-temperature selective catalytic reduction of NOx with NH3

(2018) Naveed Husnain et al.   REVIEWS IN CHEMICAL ENGINEERING

Single atom iron catalyst with single vacancy graphene-based substrate as a novel catalyst for NO oxidation: A theoretical study

(2018) Weijie Yang et al.   Catalysis Science & Technology

Room-Temperature Methane Conversion by Graphene-Confined Single Iron Atoms

(2018) Xiaoju Cui et al.   Chem

Study on the role of Mn species in low temperature SCR on MnO x /TiO 2 through experiment and DFT calculation

(2018) Lu Wei et al.   Molecular Catalysis

A cocoon silk chemistry strategy to ultrathin N-doped carbon nanosheet with metal single-site catalysts

(2018) Youqi Zhu et al.   Nature Communications

Study of the reaction mechanism of oxygen to heterogeneous reduction of NO by char

(2018) Ping Chen et al.   FUEL

Polymeric vanadyl species determine the low-temperature activity of V-based catalysts for the SCR of NOx with NH3

(2018) Guangzhi He et al.   Science Advances

The adsorption characteristics of As2O3, Pb0, PbO and PbCl2 on single atom iron adsorbent with graphene-based substrates

(2018) Weijie Yang et al.   CHEMICAL ENGINEERING JOURNAL

Reaction mechanism for NH3-SCR of NOx over CuMn2O4 catalyst

(2018) Yingju Yang et al.   CHEMICAL ENGINEERING JOURNAL

A plasma-assisted catalytic system for NO removal over CuCe/ZSM-5 catalysts at ambient temperature

(2017) Tao Wang et al.   FUEL PROCESSING TECHNOLOGY

Simultaneous NO and mercury removal over MnO x /TiO 2 catalyst in different atmospheres

(2017) Shibo Zhang et al.   FUEL PROCESSING TECHNOLOGY

Mechanistic Study of Selective Catalytic Reduction of NOx with NH3 over Mn-TiO2: A Combination of Experimental and DFT Study

(2017) Huiling Zheng et al.   Journal of Physical Chemistry C

Catalytic oxidation of nitric oxide (NO) over different catalysts: an overview

(2017) Zhe Hong et al.   Catalysis Science & Technology

Selective Transformation of Various Nitrogen-Containing Exhaust Gases toward N2 over Zeolite Catalysts

(2016) Runduo Zhang et al.   CHEMICAL REVIEWS

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

(2015) Andrew J. Medford et al.   CATALYSIS LETTERS

Little do more: a highly effective Pt1/FeOx single-atom catalyst for the reduction of NO by H2

(2015) Jian Lin et al.   CHEMICAL COMMUNICATIONS

Cooperative Effects in Water Binding to Cuprous Oxide Surfaces

(2015) Christoph Riplinger et al.   Journal of Physical Chemistry C

The rare two-dimensional materials with Dirac cones

(2015) Jinying Wang et al.   National Science Review

A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature

(2015) D. Deng et al.   Science Advances

DRIFT Study of CuO–CeO2–TiO2 Mixed Oxides for NOx Reduction with NH3 at Low Temperatures

(2014) Lei Chen et al.   ACS Applied Materials & Interfaces

Promoting effect of MoO3 on the NOx reduction by NH3 over CeO2/TiO2 catalyst studied with in situ DRIFTS

(2013) Zhiming Liu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

(2013) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

CO2 Adsorption on Cu2O(111): A DFT+U and DFT-D Study

(2013) Leah Isseroff Bendavid et al.   Journal of Physical Chemistry C

Electronic Structure Effects in Transition Metal Surface Chemistry

(2013) A. Vojvodic et al.   TOPICS IN CATALYSIS

A DFT Study toward Understanding the High Activity of Fe-Exchanged Zeolites for the “Fast” Selective Catalytic Reduction of Nitrogen Oxides with Ammonia

(2008) Jun Li et al.   Journal of Physical Chemistry C