Van der Waals density functional study of formic acid adsorption and decomposition on Cu(111)

g-C3N4 supported metal (Pd, Ag, Pt) catalysts for hydrogen-production from formic acid

(2018) Xiaotong Liu et al.   NEW JOURNAL OF CHEMISTRY

Atomic and Molecular Adsorption on Cu(111)

(2018) Lang Xu et al.   TOPICS IN CATALYSIS

Adsorption and Decomposition of Formic Acid on Cobalt(0001)

(2018) Jeffrey J. Sims et al.   Journal of Physical Chemistry C

Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111)

(2017) Pei Wang et al.   ACS Catalysis

Equilibrium Constants and Rate Constants for Adsorbates: Two-Dimensional (2D) Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models

(2016) Charles T. Campbell et al.   Journal of Physical Chemistry C

Adsorption of formate species on Cu( h , k , l ) low index surfaces

(2016) Arunabhiram Chutia et al.   SURFACE SCIENCE

Density functional theory studies of HCOOH decomposition on Pd(111)

(2016) Jessica Scaranto et al.   SURFACE SCIENCE

HCOOH decomposition on Pt(111): A DFT study

(2016) Jessica Scaranto et al.   SURFACE SCIENCE

On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts

(2016) Sha Li et al.   TOPICS IN CATALYSIS

Formic Acid as a Hydrogen Energy Carrier

(2016) Jörg Eppinger et al.   ACS Energy Letters

Quantitative analysis of desorption and decomposition kinetics of formic acid on Cu(111): The importance of hydrogen bonding between adsorbed species

(2015) Yuichiro Shiozawa et al.   JOURNAL OF CHEMICAL PHYSICS

Microscopic View of the Active Sites for Selective Dehydrogenation of Formic Acid on Cu(111)

(2015) Matthew D. Marcinkowski et al.   ACS Catalysis

Formic acid decomposition on Au catalysts: DFT, microkinetic modeling, and reaction kinetics experiments

(2014) Suyash Singh et al.   AICHE JOURNAL

Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces

(2014) Fahdzi Muttaqien   JOURNAL OF CHEMICAL PHYSICS

van der Waals density functional made accurate

(2014) Ikutaro Hamada   PHYSICAL REVIEW B

Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition

(2014) Jong Suk Yoo et al.   ACS Catalysis

Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study

(2014) Jeffrey A. Herron et al.   ACS Catalysis

Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements

(2013) Charles T. Campbell et al.   CHEMICAL REVIEWS

Assisted deprotonation of formic acid on Cu(111) and self-assembly of 1D chains

(2013) Ashleigh E. Baber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetic Prefactors of Reactions on Solid Surfaces

(2013) Charles T. Campbell et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

Formic acid as a hydrogen source – recent developments and future trends

(2012) Martin Grasemann et al.   Energy & Environmental Science

A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications

(2012) Jun Wu et al.   JOURNAL OF CHEMICAL PHYSICS

CO2 Hydrogenation to Formic Acid on Ni(111)

(2011) Guowen Peng et al.   Journal of Physical Chemistry C

Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on Cu(111): density functional theory studies

(2011) Sen Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

New approaches to hydrogen storage

(2008) Jason Graetz   CHEMICAL SOCIETY REVIEWS

Breakthroughs in Hydrogen Storage-Formic Acid as a Sustainable Storage Material for Hydrogen

(2008) Ferenc Joó   ChemSusChem