All Outputs (3)

Atomic reconstruction in twisted bilayers of transition metal dichalcogenides (2020)
Journal Article
Weston, A., Zou, Y., Enaldiev, V., Summerfield, A., Clark, N., Z´olyomi, V., Graham, A., Yelgel, C., Magorrian, S., Zhou, M., Zultak, J., Hopkinson, D., Barinov, A., Bointon, T., Kretinin, A., Wilson, N. R., Beton, P. H., Fal’ko, V. I., Haigh, S. J., & Gorbachev, R. (2020). Atomic reconstruction in twisted bilayers of transition metal dichalcogenides. Nature Nanotechnology, 15(7), 592–597. https://doi.org/10.1038/s41565-020-0682-9

Van der Waals heterostructures form a unique class of layered artificial solids in which physical properties can be manipulated through controlled composition, order and relative rotation of adjacent atomic planes. Here we use atomic-resolution trans... Read More about Atomic reconstruction in twisted bilayers of transition metal dichalcogenides.

Step-Flow Growth of Graphene-Boron Nitride Lateral Heterostructures by Molecular Beam Epitaxy (2020)
Journal Article
Thomas, J., Bradford, J., Cheng, T. S., Summerfield, A., Wrigley, J., Mellor, C. J., Khlobystov, A., Foxon, C. T., Eaves, L., Novikov, S. V., & Beton, P. H. (2020). Step-Flow Growth of Graphene-Boron Nitride Lateral Heterostructures by Molecular Beam Epitaxy. 2D Materials, 7(3), Article 035014. https://doi.org/10.1088/2053-1583/ab89e7

Integration of graphene and hexagonal boron nitride (hBN) into lateral heterostructures has drawn focus due to the ability to broadly engineer the material properties. Hybrid monolayers with tuneable bandgaps have been reported, while the interface i... Read More about Step-Flow Growth of Graphene-Boron Nitride Lateral Heterostructures by Molecular Beam Epitaxy.

AIRBED: a simplified density functional theory model for physisorption on surfaces (2019)
Journal Article
Mason, S. E., Beton, P. H., & Besley, N. A. (2019). AIRBED: a simplified density functional theory model for physisorption on surfaces. Journal of Chemical Theory and Computation, 15(10), 5628-5634. https://doi.org/10.1021/acs.jctc.9b00576

Dispersion interactions are commonly included in density functional theory (DFT) calculations through the addition of an empirical correction. In this study, a modification is made to the damping function in DFT-D2 calculations, to describe repulsion... Read More about AIRBED: a simplified density functional theory model for physisorption on surfaces.