Dr. Mazharul M Islam
Dr. Mazharul M Islam
Department of Chemistry, Bath University, GB
Verified email at bath.ac.uk
Title
Cited by
Cited by
Year
Electronic properties of oxygen-deficient and aluminum-doped rutile Ti O 2 from first principles
MM Islam, T Bredow, A Gerson
Physical Review B 76 (4), 045217, 2007
1392007
Hydrogen Adsorption and Diffusion on the Anatase TiO2(101) Surface: A First-Principles Investigation
MM Islam, M Calatayud, G Pacchioni
The Journal of Physical Chemistry C 115 (14), 6809-6814, 2011
1382011
Theoretical study of Li migration in lithium–graphite intercalation compounds with dispersion-corrected DFT methods
S Thinius, MM Islam, P Heitjans, T Bredow
The Journal of Physical Chemistry C 118 (5), 2273-2280, 2014
1112014
Characterization of supported vanadium oxide species on silica: a periodic DFT investigation
MM Islam, D Costa, M Calatayud, F Tielens
The Journal of Physical Chemistry C 113 (24), 10740-10746, 2009
752009
Structural, Magnetic, Electronic, Defect, and Diffusion Properties of Cr2O3: A DFT+U Study
F Lebreau, MM Islam, B Diawara, P Marcus
The Journal of Physical Chemistry C 118 (31), 18133-18145, 2014
702014
Theoretical analysis of structural, energetic, electronic, and defect properties of Li2O
MM Islam, T Bredow, C Minot
The Journal of Physical Chemistry B 110 (19), 9413-9420, 2006
702006
Structural and electronic properties of Li2B4O7
MM Islam, VV Maslyuk, T Bredow, C Minot
The Journal of Physical Chemistry B 109 (28), 13597-13604, 2005
662005
Bulk and surface properties of Cu2O: A first-principles investigation
MM Islam, B Diawara, V Maurice, P Marcus
Journal of Molecular Structure: THEOCHEM 903 (1-3), 41-48, 2009
652009
Ab initio study of the chemical states of water on Cr2O3 (0 0 0 1): From the isolated molecule to saturation coverage
D Costa, K Sharkas, MM Islam, P Marcus
Surface Science 603 (16), 2484-2493, 2009
572009
Electronic properties of compounds of the Li 2 O− B 2 O 3 system
VV Maslyuk, MM Islam, T Bredow
Physical Review B 72 (12), 125101, 2005
542005
First principles investigation on the stabilization mechanisms of the polar copper terminated Cu2O (1 1 1) surface
MM Islam, B Diawara, V Maurice, P Marcus
Surface Science 603 (13), 2087-2095, 2009
522009
Density Functional Theory Study for the Stability and Ionic Conductivity of Li2O Surfaces
MM Islam, T Bredow
The Journal of Physical Chemistry C 113 (2), 672-676, 2009
482009
Theoretical investigation of the nonlinear optical properties of substituted anilines and N, N-dimethylanilines
MM Islam, MDH Bhuiyan, T Bredow, AC Try
Computational and Theoretical Chemistry 967 (1), 165-170, 2011
352011
Theoretical investigation of the nonlinear optical properties of substituted anilines and N, N-dimethylanilines
MM Islam, MDH Bhuiyan, T Bredow, AC Try
Computational and Theoretical Chemistry 967 (1), 165-170, 2011
352011
The ionic conductivity in lithium-boron oxide materials and its relation to structural, electronic and defect properties: insights from theory
MM Islam, T Bredow, P Heitjans
Journal of Physics: Condensed Matter 24 (20), 203201, 2012
312012
Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers
D Wiedemann, S Nakhal, J Rahn, E Witt, MM Islam, S Zander, P Heitjans, ...
Chemistry of Materials 28 (3), 915-924, 2016
292016
Synergy between iono-covalent bonds and van der Waals interactions in SAMs formation: A first-principles study of adsorption of carboxylic acids on the Zn–ZnO (0 0 0 1) surface
MM Islam, B Diawara, P Marcus, D Costa
Catalysis today 177 (1), 39-49, 2011
292011
Lithium Diffusion Pathways in β-Li2TiO3: A Theoretical Study
MM Islam, T Bredow
The Journal of Physical Chemistry C 120 (13), 7061-7066, 2016
282016
Interstitial Lithium Diffusion Pathways in γ-LiAlO2: A Computational Study
MM Islam, T Bredow
The journal of physical chemistry letters 6 (22), 4622-4626, 2015
282015
Chlorine ion mobility in Cl-mayenite (Ca12Al14O32Cl2): An investigation combining high-temperature neutron powder diffraction, impedance spectroscopy and quantum-chemical …
A Schmidt, M Lerch, JP Eufinger, J Janek, I Tranca, MM Islam, T Bredow, ...
Solid State Ionics 254, 48-58, 2014
282014
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