Transition metal carbides as novel materials for CO2 capture, storage, and activation

Identifying trends and descriptors for selective CO2 conversion to CO over transition metal carbides

(2015) Marc D. Porosoff et al.   CHEMICAL COMMUNICATIONS

Closing the loop: captured CO2 as a feedstock in the chemical industry

(2015) Alexander Otto et al.   Energy & Environmental Science

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study

(2015) N. Y. Dzade et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogenation of CO2 to Methanol: Importance of Metal–Oxide and Metal–Carbide Interfaces in the Activation of CO2

(2015) José A. Rodriguez et al.   ACS Catalysis

The bending machine: CO2 activation and hydrogenation on δ-MoC(001) and β-Mo2C(001) surfaces

(2014) Sergio Posada-Pérez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface chemistry of CO2 – Adsorption of carbon dioxide on clean surfaces at ultrahigh vacuum

(2014) Uwe Burghaus   PROGRESS IN SURFACE SCIENCE

Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2

(2014) Sergio Posada-Pérez et al.   TOPICS IN CATALYSIS

Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes

(2013) Evgenii V. Kondratenko et al.   Energy & Environmental Science

Carbon capture and storage update

(2013) Matthew E. Boot-Handford et al.   Energy & Environmental Science

Measurement, Standards, and Data Needs for CO2 Capture Materials: A Critical Review

(2013) Laura Espinal et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CO2 hydrogenation on Au/TiC, Cu/TiC, and Ni/TiC catalysts: Production of CO, methanol, and methane

(2013) José A. Rodriguez et al.   JOURNAL OF CATALYSIS

DFT modeling of CO2 adsorption on Cu, Zn, Ni, Pd/DOH zeolite

(2013) Daniel Smykowski et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Adsorption of CO2 at ZnO: A Surface Structure Effect from DFT+U Calculations

(2013) Qian-Lin Tang et al.   Journal of Physical Chemistry C

Theoretical and experimental study of the interaction of CO on TiC surfaces: Regular versus low coordinated sites

(2013) Barry P. Mant et al.   SURFACE SCIENCE

CO2 Activation and Methanol Synthesis on Novel Au/TiC and Cu/TiC Catalysts

(2012) Alba B. Vidal et al.   Journal of Physical Chemistry Letters

A density functional theory study on CO2 capture and activation by graphene-like boron nitride with boron vacancy

(2011) Yan Jiao et al.   CATALYSIS TODAY

Flue gas treatment via CO2 adsorption

(2011) Abdelhamid Sayari et al.   CHEMICAL ENGINEERING JOURNAL

Conversion of Methane and Carbon Dioxide to Higher Value Products

(2011) Vesna Havran et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

CO2 adsorption on TiO2(110) rutile: Insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments

(2011) Dan C. Sorescu et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Carbon Dioxide Capture: Prospects for New Materials

(2010) Deanna M. D'Alessandro et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74

(2010) L. Valenzano et al.   Journal of Physical Chemistry C

Adsorbent Materials for Carbon Dioxide Capture from Large Anthropogenic Point Sources

(2009) Sunho Choi et al.   ChemSusChem

Spontaneous Activation of CO2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100)

(2009) Vassiliki-Alexandra Glezakou et al.   Journal of Physical Chemistry C

Catalysis: Role and Challenges for a Sustainable Energy

(2009) Gabriele Centi et al.   TOPICS IN CATALYSIS

Evidence for spontaneous CO2 activation on cobalt surfaces

(2008) Víctor A. de la Peña O’Shea et al.   CHEMICAL PHYSICS LETTERS

Catalyst size matters: Tuning the molecular mechanism of the water–gas shift reaction on titanium carbide based compounds

(2008) Francesc Viñes et al.   JOURNAL OF CATALYSIS