Nanoscale surface study and reactions mechanism of 2-butanol over the γ-alumina (1 0 0) surface and nanochannel: A DFT study

HA Dabbagh, M Zamani, BH Davis - Journal of Molecular Catalysis A …, 2010 - Elsevier
The mechanism of adsorption, dissociation, hydrogen-shift, dehydration and
dehydrogenation of adsorbed (R)-and (S)-2-butanol over the dehydroxylated (100) surface …

Effects of atomic-layer-deposition alumina on proton transmission through single-layer graphene in electrochemical hydrogen pump cells

S Bukola, D Cao, ABF Martinson… - ACS Applied Energy …, 2020 - ACS Publications
Fifty atomic layer deposition (ALD) cycles of trimethylaluminum and water were applied to
single-layer graphene on copper and graphene on Nafion membranes that result in alumina …

Effect of pH on the electrical properties and conducting mechanism of SnO2 nanoparticles

RS Periathai, S Abarna, G Hirankumar… - Physica B: Condensed …, 2017 - Elsevier
Semiconductor nanoparticles have attracted more interests because of their size-dependent
optical and electrical properties. SnO 2 is an oxygen-deficient n-type semiconductor with a …

Role of proton hopping in surface charge transport on tin dioxide as revealed by the thermal dependence of conductance

RB Wexler, K Sohlberg - The Journal of Physical Chemistry A, 2014 - ACS Publications
The presence of water on an oxide surface can dramatically alter its electrical properties with
important consequences for electrical measurements by scanning probe microscopy, and for …

Linking Experimental and Theoretical Studies of CO2 Binding for Insight into the Structure of Activated Carbon

K Sohlberg - International Journal of Nanoscience, 2023 - World Scientific
Five different physically motivated analytic isotherm models are fit to experimental (P, V)
data from seven different sources reporting studies of the adsorption of CO2 by activated …

[PDF][PDF] Surface modification of γ-alumina by NaNO2, NaNO3, HNO2, HNO3 and H2SO4: A DFT-D approach

M Zamani, HA Dabbagh - Iranian Journal of Catalysis, 2016 - journals.iau.ir
In this study, the dissociative adsorption of NaNO2, NaNO3, HNO2, HNO3 and H2SO4 over
(1 1 0) surface of γ-alumina nonspinel model were investigated through the dispersion …

Monitoring surface ion mobility on aluminum oxide: effect of chemical pretreatments

B Salgin, RF Hamou, M Rohwerder - Electrochimica Acta, 2013 - Elsevier
Despite of its crucial role in many electrochemical processes, a clear surface chemistry-
correlated understanding of interfacial ion mobility is missing. This study presents an …

[PDF][PDF] Adsorption behavior of the primary, secondary and tertiary alkyl, allyl and aryl alcohols over nanoscale (1 0 0) surface of γ-alumina

M Zamani, HA Dabbagh - J. Nanoanal, 2014 - researchgate.net
In this study, the adsorption behavior of the primary, secondary and tertiary alcohols over
nanoscale (1 0 0) surface of defect spinel γ-alumina was investigated with the aid of density …

In situ electrical conductivity and catalytic properties of copper ferrite synthesized by non-conventional methods

C Munteanu, M Caldararu, D Gingasu… - Reaction Kinetics …, 2011 - akjournals.com
The in situ electrical properties and the catalytic activity of copper ferrite obtained by co-
precipitation and thermal decomposition of polynuclear coordination compounds were …

Entropic contributions to the atomic-scale charge-carrier/surface interactions that govern macroscopic surface conductance

S Cai, M Caldararu, K Sohlberg - The Journal of Physical …, 2010 - ACS Publications
In this paper it is demonstrated how to use quantum-chemical electronic structure
calculations to estimate the values of the entropic parameters in a mathematical model of …