• United Kingdom

Accepting PhD Students

20022020
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Research Output 2002 2018

2018
Molecules
molecules
interactions
Physisorption
tiles
1 Citations
formaldehyde
Formaldehyde
Methanol
Raman scattering
methyl alcohol
2017
3 Citations

Evaluation and optimisation of interface force fields for water on gold surfaces

Berg, A., Peter, C. & Johnston, K., 9 Oct 2017, In : Journal of Chemical Theory and Computation .

Research output: Contribution to journalArticle

Open Access
File
Gold
field theory (physics)
gold
optimization
Water
2016
6 Citations

Adsorption of polyiodobenzene molecules on the Pt(111) surface using van der Waals density functional theory

Johnston, K., Pekoz, R. & Donadio, D., Feb 2016, In : Surface Science. 644, p. 113-121 9 p.

Research output: Contribution to journalArticle

Open Access
File
Density functional theory
density functional theory
Adsorption
Molecules
Iodine
1 Citations
Open Access
File
difluorides
vinylidene
Ferroelectric materials
Density functional theory
density functional theory
6 Citations
Open Access
File
Phosphorous Acids
Thiophenes
Thiophene
Monolayers
Transistors
5 Citations

Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view

Fortuna, S., Cheung, D. & Johnston, K., 6 Apr 2016, In : Journal of Chemical Physics. 144, 9 p., 134707.

Research output: Contribution to journalArticle

Open Access
File
Self assembled monolayers
Phase behavior
Tuning
tuning
Molecules
2014
6 Citations

A van der Waals density functional study of the adsorption of ethanol on the α-alumina (0001) surface

Johnston, K., Mar 2014, In : Surface Science. 621, p. 16-22 7 p.

Research output: Contribution to journalArticle

Aluminum Oxide
Ethanol
ethyl alcohol
Alumina
aluminum oxides
12 Citations

Interphase of a polymer at a solid interface

Butt, H. J., Duran, H., Egger, W., Faupel, F., Harmandaris, V., Harms, S., Johnston, K., Kremer, K., Lin, F. Y., Lue, L., Ohrt, C., Raetzke, K., Ravelli, L., Steffen, W. & Vianna, S. D. B., 2014, In : Macromolecules. 47, 23, p. 8459-8465 7 p.

Research output: Contribution to journalArticle

Open Access
File
Polystyrenes
Polymers
Gold
Positron annihilation
Free volume
14 Citations

Tuning the adsorption of aromatic molecules on platinum via halogenation

Pekoz, R., Johnston, K. & Donadio, D., 10 Mar 2014, In : Journal of Physical Chemistry C. 118, 12, p. 6235–6241 7 p.

Research output: Contribution to journalArticle

Open Access
File
Halogenation
halogenation
Platinum
platinum
Tuning
2013
31 Citations
Polystyrenes
Gold
Polymers
Chain length
Atoms
33 Citations

Hierarchical simulations of hybrid polymer-solid materials

Johnston, K. & Harmandaris, V., 2013, In : Soft Matter. 9, 29, p. 6696-6710 15 p.

Research output: Contribution to journalLiterature review

Open Access
File
Polymers
polymers
simulation
methodology
2012
22 Citations

Adsorption of dichlorobenzene on Au and Pt stepped surfaces using van der Waals density functional theory

Pekoz, R., Johnston, K. & Donadio, D., 27 Sep 2012, In : Journal of Physical Chemistry C. 116, 38, p. 20409-20416 8 p.

Research output: Contribution to journalArticle

Density functional theory
density functional theory
Adsorption
adsorption
gradients
8 Citations

Development of classical molecule-surface interaction potentials based on density functional theory calculations: investigation of force field representability

Johnston, K., Herbers, C. R. & van der Vegt, N. F. A., 20 Sep 2012, In : Journal of Physical Chemistry C. 116, 37, p. 19781-19788 8 p.

Research output: Contribution to journalArticle

surface reactions
field theory (physics)
Density functional theory
density functional theory
Adsorption
27 Citations
Polystyrenes
Gold
Density functional theory
Molecular dynamics
polystyrene
2011
8 Citations

A hierarchical dualscale study of bisphenol-A-polycarbonate on a silicon surface: structure, dynamics and impurity diffusion

Johnston, K., Nieminen, R. M. & Kremer, K., 2011, In : Soft Matter. 7, 14, p. 6457-6466 10 p.

Research output: Contribution to journalArticle

Open Access
File
bisphenols
Silicon
polycarbonates
Polycarbonates
Impurities
10 Citations

Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm

Herbers, C. R., Johnston, K. & van der Vegt, N. F. A., 2011, In : Physical Chemistry Chemical Physics. 13, 22, p. 10577-10583 7 p.

Research output: Contribution to journalArticle

Open Access
File
genetic algorithms
surface reactions
Genetic algorithms
Molecules
Adsorption
25 Citations
Benzene
Density functional theory
Molecular dynamics
benzene
molecular dynamics
2010
9 Citations

Adsorption structures of phenol on the Si(001)-(2X1) surface calculated using density functional theory

Johnston, K., Gulans, A., Verho, T. & Puska, M. J., 21 Jun 2010, In : Physical Review B: Condensed Matter and Materials Physics. 81, 23, 9 p., 235428.

Research output: Contribution to journalArticle

Open Access
File
Phenol
phenols
Phenols
Density functional theory
density functional theory
36 Citations

Charge transport in self-assembled semiconducting organic layers: role of dynamic and static disorder

Vehoff, T., Chung, Y. S., Johnston, K., Troisi, A., Yoon, D. Y. & Andrienko, D., 17 Jun 2010, In : Journal of Physical Chemistry C. 114, 23, p. 10592-10597 6 p.

Research output: Contribution to journalArticle

Charge transfer
organic semiconductors
disorders
Semiconducting organic compounds
assembling
2008
14 Citations

Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO(3) and PbTiO(3)

Oja, R., Johnston, K., Frantti, J. & Nieminen, R. M., Sep 2008, In : Physical Review B: Condensed Matter and Materials Physics. 78, 9, 6 p., 094102.

Research output: Contribution to journalArticle

Open Access
File
perovskites
Ferroelectric materials
Phase transitions
Polarization
polarization
3 Citations
Open Access
File
Van der Waals forces
arts
Silicon
Benzene
Density functional theory
66 Citations

Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory

Johnston, K., Kleis, J., Lundqvist, B. I. & Nieminen, R. M., 27 Mar 2008, In : Physical Review B: Condensed Matter and Materials Physics. 77, 12, 4 p., 121404.

Research output: Contribution to journalArticle

Open Access
File
bridges (structures)
Van der Waals forces
Silicon
Benzene
functionals
2007
32 Citations

Polarization enhancement in short period superlattices via interfacial intermixing

Cooper, V. R., Johnston, K. & Rabe, K. M., 16 Jul 2007, In : Physical Review B: Condensed Matter and Materials Physics. 76, 2, 4 p., 020103.

Research output: Contribution to journalArticle

Superlattices
superlattices
Ferroelectric devices
Polarization
augmentation
18 Citations
Polymers
adhesion
Adhesion
Adsorption
Molecules
2005
56 Citations

Epitaxial growth of multiferroic YMnO3 on GaN

Posadas, A., Yau, J-B., Ahn, C. H., Han, J., Gariglio, S., Johnston, K., Rabe, K. M. & Neaton, J. B., 2005, In : Applied Physics Letters. 87, 171915.

Research output: Contribution to journalArticle

Open Access
File
Lattice mismatch
Epitaxial growth
Strain energy
energy
Diffraction
108 Citations

First-principles study of symmetry lowering and polarization in BaTiO3/SrTiO3 superlattices with in-plane expansion

Johnston, K., Huang, X., Neaton, J. B. & Rabe, K. M., 31 Mar 2005, In : Physical Review B: Condensed Matter and Materials Physics. 71, 10, 4 p., 100103(R).

Research output: Contribution to journalArticle

Open Access
File
Superlattices
superlattices
Polarization
expansion
symmetry
160 Citations

Unusual behaviour of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices

Dawber, M., Lichtensteiger, C., Cantoni, M., Veithen, M., Ghosez, P., Johnston, K., Rabe, K. M. & Triscone, J-M., 2005, In : Physical Review Letters. 95, 4 p., 177601.

Research output: Contribution to journalArticle

Open Access
File
Superlattices
Ferroelectric materials
superlattices
Polarization
polarization
2004
115 Citations
Open Access
File
Scanning tunneling microscopy
Interfacial energy
atomic structure
surface energy
scanning tunneling microscopy
2002
12 Citations

Electrostatic and entropic interactions between parallel interfaces separated by a glassy film

Johnston, K. & Finnis, M. W., 1 Oct 2002, In : Journal of the American Ceramic Society. 85, 10, p. 2562-2568 7 p.

Research output: Contribution to journalArticle

Electrostatics
Ions
Surface charge
Metals
Local density approximation