First-principles and experimental studies of [ZrO(OH)]+ or ZrO(OH)2 for enhancing CO2 desorption kinetics – imperative for significant reduction of CO2 capture energy consumption

Insights into the mechanism of the capture of CO2 by K2CO3 sorbent: a DFT study

(2017) Hongyan Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional theory and reactive dynamics study of catalytic performance of TiO 2 on CO 2 desorption process with KHCO 3 /TiO 2 /Al 2 O 3 sorbent

(2017) Wenwen Zhao et al.   Molecular Catalysis

TiO(OH)2 – highly effective catalysts for optimizing CO2 desorption kinetics reducing CO2 capture cost: A new pathway

(2017) Hongbao Yao et al.   Scientific Reports

Fabrication and CO2 capture performance of magnesia-stabilized carbide slag by by-product of biodiesel during calcium looping process

(2016) Xiaotong Ma et al.   APPLIED ENERGY

DFT studies of the methanol decomposition mechanism on the H 2 O/Cu(110) and OH pre-adsorbed H 2 O/Cu(110) interfaces: Comparison with the clean Cu(110) surface

(2016) Rui-Peng Ren et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Density functional theory study on the reaction between hematite and methane during chemical looping process

(2015) Liang Huang et al.   APPLIED ENERGY

TiO2-Doped K2CO3/Al2O3 Sorbents for CO2 Capture

(2014) Wei Dong et al.   ENERGY & FUELS

A comprehensive DFT investigation of bulk and low-index surfaces of ZrO2polymorphs

(2014) Chiara Ricca et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

K2CO3/Al2O3 for Capturing CO2 in Flue Gas from Power Plants. Part 5: Carbonation and Failure Behavior of K2CO3/Al2O3 in the Continuous CO2 Sorption–Desorption System

(2013) Ye Wu et al.   ENERGY & FUELS

Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculations

(2013) Manh-Thuong Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

Capturing CO2 in flue gas from fossil fuel-fired power plants using dry regenerable alkali metal-based sorbent

(2013) Chuanwen Zhao et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

K2CO3/Al2O3 for Capturing CO2 in Flue Gas from Power Plants. Part 2: Regeneration Behaviors of K2CO3/Al2O3

(2012) Chuanwen Zhao et al.   ENERGY & FUELS

First principles study on the adsorption of CO2 and H2O on the K2CO3 (001) surface

(2012) Hongwei Gao et al.   SURFACE SCIENCE

CO2Capture over K2CO3/MgO/Al2O3Dry Sorbent in a Fluidized Bed

(2011) Lei Li et al.   ENERGY & FUELS

Use of Nanoporous FeOOH as a Catalytic Support for NaHCO3 Decomposition Aimed at Reduction of Energy Requirement of Na2CO3/NaHCO3 Based CO2 Separation Technology

(2011) Bryce Dutcher et al.   Journal of Physical Chemistry C

Periodic DFT and Atomistic Thermodynamic Modeling of the Surface Hydration Equilibria and Morphology of Monoclinic ZrO2 Nanocrystals

(2011) Witold Piskorz et al.   Journal of Physical Chemistry C

Meso–macroporous zirconia modified with niobia as support for platinum—Acidic and basic properties

(2009) Joanna Goscianska et al.   CATALYSIS TODAY

CO2Absorption Using Dry Potassium-Based Sorbents with Different Supports

(2009) Chuanwen Zhao et al.   ENERGY & FUELS

Global learning on carbon capture and storage: A call for strong international cooperation on CCS demonstration

(2009) Heleen de Coninck et al.   ENERGY POLICY

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

(2009) Erik R. McNellis et al.   PHYSICAL REVIEW B

Insights into the Geometry, Stability and Vibrational Properties of OH Groups on γ-Al2O3, TiO2-Anatase and MgO from DFT Calculations

(2009) C. Chizallet et al.   TOPICS IN CATALYSIS

A neutron scattering study of strong-symmetric hydrogen bonds in potassium and cesium hydrogen bistrifluoroacetates: Determination of the crystal structures and of the single-well potentials for protons

(2008) François Fillaux et al.   JOURNAL OF CHEMICAL PHYSICS

Progress in carbon dioxide separation and capture: A review

(2008) Hongqun Yang et al.   JOURNAL OF ENVIRONMENTAL SCIENCES

Structure and Stability of Formates and Carbonates on Monoclinic Zirconia: A Combined Study by Density Functional Theory and Infrared Spectroscopy

(2008) Satu T. Korhonen et al.   Journal of Physical Chemistry C