Bifunctional Fe for Induced Graphitization and Catalytic Ozonation Based on a Fe/N-Doped Carbon–Al2O3 Framework: Theoretical Calculations Guided Catalyst Design and Optimization

Engineered carbon supported single iron atom sites and iron clusters from Fe-rich Enteromorpha for Fenton-like reactions via nonradical pathways

(2021) Lijng Peng et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure

(2020) Tian Lu et al.   THEORETICAL CHEMISTRY ACCOUNTS

The Fe–N–C oxidase-like nanozyme used for catalytic oxidation of NOM in surface water

(2020) Hankun Yang et al.   WATER RESEARCH

A hybrid fluidized-bed reactor (HFBR) based on arrayed ceramic membranes (ACMs) coupled with powdered activated carbon (PAC) for efficient catalytic ozonation: A comprehensive study on a pilot scale

(2020) Kajia Wei et al.   WATER RESEARCH

Intensification of the ozone-water mass transfer in an oscillatory flow reactor with innovative design of periodic constrictions: Optimization and application in ozonation water treatment

(2020) Cátia A.L. Graça et al.   CHEMICAL ENGINEERING JOURNAL

Mechanistic insights into the catalytic ozonation process using iron oxide-impregnated activated carbon

(2020) Yuting Yuan et al.   WATER RESEARCH

Ni-Induced C-Al2O3-Framework (NiCAF) Supported Core–Multishell Catalysts for Efficient Catalytic Ozonation: A Structure-to-Performance Study

(2019) Kajia Wei et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Insights into Heteroatom-Doped Graphene for Catalytic Ozonation: Active Centers, Reactive Oxygen Species Evolution, and Catalytic Mechanism

(2019) Zilong Song et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Development of Prediction Models on Base-Catalyzed Hydrolysis Kinetics of Phthalate Esters with Density Functional Theory Calculation

(2019) Tong Xu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

New Insights into the Degradation Mechanism of Perfluorooctanoic Acid by Persulfate from Density Functional Theory and Experimental Data

(2019) Yanyan Zhang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Catalytic Ozonation of Ketoprofen with In Situ N-Doped Carbon: A Novel Synergetic Mechanism of Hydroxyl Radical Oxidation and an Intra-Electron-Transfer Nonradical Reaction

(2019) Zhiqiang Sun et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Occurrence of both hydroxyl radical and surface oxidation pathways in N-doped layered nanocarbons for aqueous catalytic ozonation

(2019) Yuxian Wang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

N-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways

(2019) Yujie Yao et al.   CHEMICAL ENGINEERING JOURNAL

Composite Si-O-metal network catalysts with uneven electron distribution: Enhanced activity and electron transfer for catalytic ozonation of carbamazepine

(2019) Shangyi Li et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic ozonation of succinic acid in aqueous solution using the catalyst of Ni/Al 2 O 3 prepared by electroless plating-calcination method

(2018) Jiali Peng et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Electronic Structure Modulation of Graphitic Carbon Nitride by Oxygen Doping for Enhanced Catalytic Degradation of Organic Pollutants through Peroxymonosulfate Activation

(2018) Yaowen Gao et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Significant enhancement in catalytic ozonation efficacy: From granular to super-fine powdered activated carbon

(2017) Tianyi Chen et al.   Frontiers of Environmental Science & Engineering

Coagulation Behavior of Graphene Oxide on Nanocrystallined Mg/Al Layered Double Hydroxides: Batch Experimental and Theoretical Calculation Study

(2016) Yidong Zou et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Toluene removal from waste air stream by the catalytic ozonation process with MgO/GAC composite as catalyst

(2016) Fatemeh Rezaei et al.   JOURNAL OF HAZARDOUS MATERIALS

Mechanistic Insights into Propene Epoxidation with O2–H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations

(2016) Jin-Cheng Liu et al.   ACS Catalysis

Enhanced Adsorption of Hydroxyl- and Amino-Substituted Aromatic Chemicals to Nitrogen-Doped Multiwall Carbon Nanotubes: A Combined Batch and Theoretical Calculation Study

(2015) Linzi Zuo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Hydroxyl Radical Formation during Ozonation of Multiwalled Carbon Nanotubes: Performance Optimization and Demonstration of a Reactive CNT Filter

(2015) Rebekah Oulton et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Mechanism of Catalytic Ozonation in Fe2O3/Al2O3@SBA-15 Aqueous Suspension for Destruction of Ibuprofen

(2015) Jishuai Bing et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles

(2015) Yang-Gang Wang et al.   Nature Communications

Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O2 on Fe/N-Doped Graphene

(2014) Wei Liang et al.   ACS Catalysis

Sustainable development goals for people and planet

(2013) David Griggs et al.   NATURE

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A non-acid-assisted and non-hydroxyl-radical-related catalytic ozonation with ceria supported copper oxide in efficient oxalate degradation in water

(2012) Tao Zhang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic Ozonation of Oxalate with a Cerium Supported Palladium Oxide: An Efficient Degradation Not Relying on Hydroxyl Radical Oxidation

(2011) Tao Zhang et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The electrostatic potential: an overview

(2011) Jane S. Murray et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Impacts of Morphology and Crystallite Phases of Titanium Oxide on the Catalytic Ozonation of Phenol

(2010) Shuang Song et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY