New insights into the capture performance and mechanism of hazardous metals Cr3+ and Cd2+ onto an effective layered double hydroxide based material

Biochar in water and wastewater treatment - a sustainability assessment

(2021) Mohammadreza Kamali et al.   CHEMICAL ENGINEERING JOURNAL

Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces

(2021) Randall T. Cygan et al.   Journal of Physical Chemistry C

Simultaneous detection and removal of fluoride from water using smart metal-organic framework-based adsorbents

(2021) Farhad Ahmadijokani et al.   COORDINATION CHEMISTRY REVIEWS

Tuning of Persulfate Activation from a Free Radical to a Nonradical Pathway through the Incorporation of Non-Redox Magnesium Oxide

(2020) Ali Jawad et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Molecular Dynamics Study on the Adsorption of Heavy Oil Drops on a Silica Surface with Different Hydrophobicity

(2020) Deluo Ji et al.   ENERGY & FUELS

Surface Chemistry of Phosphonate Scale Inhibitor Retention Mechanisms in Carbonate Reservoirs

(2020) Khosro Jarrahian et al.   CRYSTAL GROWTH & DESIGN

ATMP derived cobalt-metaphosphate complex as highly active catalyst for oxygen reduction reaction

(2020) Lian-Hua Xu et al.   JOURNAL OF CATALYSIS

van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactions

(2020) Tian Lu et al.   JOURNAL OF MOLECULAR MODELING

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking

(2020) Zeyu Liu et al.   CARBON

Ethylenediamine-functionalized Zr-based MOF for efficient removal of heavy metal ions from water

(2020) Farhad Ahmadijokani et al.   CHEMOSPHERE

Effect of carbon chain structure on the phthalic acid esters (PAEs) adsorption mechanism by mesoporous cellulose biochar

(2019) Quan Chen et al.   CHEMICAL ENGINEERING JOURNAL

Synergistic deep removal of As(III) and Cd(II) by a calcined multifunctional MgZnFe-CO3 layered double hydroxide: Photooxidation, precipitation and adsorption

(2019) Junqin Liu et al.   CHEMOSPHERE

Adsorption of Cesium at the External Surface of TOT Type Clay Mineral: Effect of the Interlayer Cation and the Hydrated State

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

Green preparation of magnetic biochar for the effective accumulation of Pb(II): Performance and mechanism

(2019) Yueling Zhao et al.   CHEMICAL ENGINEERING JOURNAL

Adsorption performance and mechanistic study of heavy metals by facile synthesized magnetic layered double oxide/carbon composite from spent adsorbent

(2019) Tailei Hou et al.   CHEMICAL ENGINEERING JOURNAL

Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis

(2019) Daniel Feder et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Effects of amino trimethylene phosphonic acid on structure and properties of Cu–Zn–Al hydrotalcite-derived oxides for catalytic synthesis of iso-butanol and ethanol from synthesis gas

(2019) Jia-Wei Kou et al.   FUEL

Efficient adsorption of Mn(II) by layered double hydroxides intercalated with diethylenetriaminepentaacetic acid and the mechanistic study

(2019) Mingjie Huang et al.   Journal of Environmental Sciences-China

Removal of Cr3+ from tanning effluents by adsorption onto phosphate mine waste: Key parameters and mechanisms

(2019) Amal Oumani et al.   JOURNAL OF HAZARDOUS MATERIALS

A photo-switch for peroxydisulfate non-radical/radical activation over layered CuFe oxide: Rational degradation pathway choice for pollutants

(2019) Junqin Liu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Rapid removal of toxic metals Cu2+ and Pb2+ by amino trimethylene phosphonic acid intercalated layered double hydroxide: A combined experimental and DFT study

(2019) Sidi Zhu et al.   CHEMICAL ENGINEERING JOURNAL

Adsorption of heavy metals by l-cysteine intercalated layered double hydroxide: Kinetic, isothermal and mechanistic studies

(2019) Xue Zhang et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Bond Order Densities in Real Space

(2019) José Luis Casals-Sainz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbon quantum dots/layered double hydroxide hybrid for fast and efficient decontamination of Cd(II): The adsorption kinetics and isotherms

(2018) Omid Rahmanian et al.   APPLIED SURFACE SCIENCE

Magnetic graphene oxide/MgAl-layered double hydroxide nanocomposite: One-pot solvothermal synthesis, adsorption performance and mechanisms for Pb 2+ , Cd 2+ , and Cu 2+

(2018) Qiqi Huang et al.   CHEMICAL ENGINEERING JOURNAL

Highly efficient capture and recovery of uranium by reusable layered double hydroxide intercalated with 2-mercaptoethanesulfonate

(2018) Hamid Asiabi et al.   CHEMICAL ENGINEERING JOURNAL

Activation of persulfate by CuOx@Co-LDH: A novel heterogeneous system for contaminant degradation with broad pH window and controlled leaching

(2018) Ali Jawad et al.   CHEMICAL ENGINEERING JOURNAL

Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)

(2018) Jaita Banerjee et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Organophosphonates: A review on environmental relevance, biodegradability and removal in wastewater treatment plants

(2018) Eduard Rott et al.   SCIENCE OF THE TOTAL ENVIRONMENT

A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides

(2018) Germán Pérez-Sánchez et al.   APPLIED CLAY SCIENCE

Removal of Cu2+, Cd2+ and Pb2+ from aqueous solutions by magnetic alginate microsphere based on Fe3O4/MgAl-layered double hydroxide

(2018) Junhao Sun et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Highly efficient immobilization of uranium(VI) from aqueous solution by phosphonate-functionalized dendritic fibrous nanosilica (DFNS)

(2018) Peipei Yang et al.   JOURNAL OF HAZARDOUS MATERIALS

Corrosion protection of carbon steel by tetraphosphonates of systematically different molecular size

(2018) Argyri Moschona et al.   CORROSION SCIENCE

Efficient and fast removal of Pb2+ and Cd2+ from an aqueous solution using a chitosan/Mg-Al-layered double hydroxide nanocomposite

(2018) Feiyan Lyu et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Adsorption behavior and mechanism of Mg/Fe layered double hydroxide with Fe3O4-carbon spheres on the removal of Pb(II) and Cu(II)

(2018) Yuanyuan Xie et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Temperature-Dependent Structure and Dynamics of Water Intercalated in Layered Double Hydroxides with Different Hydration States

(2017) Meng Chen et al.   Journal of Physical Chemistry C

Mineral surface chemistry control for origin of prebiotic peptides

(2017) Valentina Erastova et al.   Nature Communications

Bisphosphonate-Functionalized Imaging Agents, Anti-Tumor Agents and Nanocarriers for Treatment of Bone Cancer

(2017) Robin A. Nadar et al.   Advanced Healthcare Materials

Water Sanitization by the Elimination of Cd2+ Using Recycled PET/MWNT/LDH Composite: Morphology, Thermal, Kinetic, and Isotherm Studies

(2017) Shadpour Mallakpour et al.   ACS Sustainable Chemistry & Engineering

Synthesis of Li–Al layered double hydroxide intercalated with amino tris(methylene phosphonic acid) and kinetic and equilibrium studies of the uptake of Nd 3+ and Sr 2+ ions

(2016) Tomohito Kameda et al.   APPLIED SURFACE SCIENCE

Highly Selective and Efficient Removal of Heavy Metals by Layered Double Hydroxide Intercalated with the MoS42– Ion

(2016) Lijiao Ma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Magnetic polydopamine decorated with Mg–Al LDH nanoflakes as a novel bio-based adsorbent for simultaneous removal of potentially toxic metals and anionic dyes

(2016) Jie Li et al.   Journal of Materials Chemistry A

Click synthesis of a novel triazole bridged AIE active cyclodextrin probe for specific detection of Cd2+

(2015) Lifang Zhang et al.   CHEMICAL COMMUNICATIONS

Structure, molecular simulation, and release of a spirin from intercalated Zn–Al-layered double hydroxides

(2015) Zilin Meng et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Kinetics and Mechanisms of Cr(VI) Formation via the Oxidation of Cr(III) Solid Phases by Chlorine in Drinking Water

(2015) Michelle Chebeir et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Intercalative Ion-Exchange Route to Amino Acid Layered Double Hydroxide Nanohybrids and Their Sorption Properties

(2015) Goeun Choi et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches

(2015) Jonathon Witte et al.   Journal of Chemical Theory and Computation

One-electron images in real space: Natural adaptive orbitals

(2015) Marcos Menéndez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adsorption of Cd(II) by Mg–Al–CO3- and magnetic Fe3O4/Mg–Al–CO3-layered double hydroxides: Kinetic, isothermal, thermodynamic and mechanistic studies

(2015) Ran-ran Shan et al.   JOURNAL OF HAZARDOUS MATERIALS

Chemical Insight into the Adsorption of Chromium(III) on Iron Oxide/Mesoporous Silica Nanocomposites

(2015) Shani Egodawatte et al.   LANGMUIR

Structure and dynamic properties of water saturated CTMA-montmorillonite: molecular dynamics simulations

(2014) Qing Zhou et al.   APPLIED CLAY SCIENCE

Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules

(2014) Nada Mehio et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Study of the Microcharacter of Ultrastable Aqueous Foam Stabilized by a Kind of Flexible Connecting Bipolar-Headed Surfactant with Existence of Magnesium Ion

(2013) Chunxiu Li et al.   LANGMUIR

Microstructure of Single Chain Quaternary Ammonium Cations Intercalated into Montmorillonite: A Molecular Dynamics Study

(2012) Qian Zhao et al.   LANGMUIR

Preparation of Cu–Al layered double hydroxide intercalated with ethylenediaminetetraacetate by coprecipitation and its uptake of rare earth ions from aqueous solution

(2012) Tomohito Kameda et al.   SOLID STATE SCIENCES

Highly efficient and selective infrared absorption material based on layered double hydroxides for use in agricultural plastic film

(2011) Lijing Wang et al.   APPLIED CLAY SCIENCE

In-depth study on intercalating threonine into layered double hydroxides

(2011) Yongliao Wang et al.   APPLIED CLAY SCIENCE

Multiwfn: A multifunctional wavefunction analyzer

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

Molecular Modeling of Hydrotalcite Structure Intercalated with Transition Metal Oxide Anions: CrO42–and VO43–

(2011) Vinuthaa Murthy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2010) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Hydration of methane intercalated in Na-smectites with distinct layer charge: Insights from molecular simulations

(2010) Qing Zhou et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids

(2010) Andrey G. Kalinichev et al.   PHILOSOPHICAL MAGAZINE