Outputs (19)

Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces (2023)
Journal Article
Allen, A., Abdur Rashid, M., Rahe, P., Jarvis, S. P., O'Shea, J. N., Dunn, J. L., & Moriarty, P. (2023). Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces. Molecular Physics, 121(7-8), Article e2192824. https://doi.org/10.1080/00268976.2023.2192824

Submolecular resolution scanning tunnelling microscopy and qPlus atomic force microscopy reveal that, close to thermal equilibrium, bi-isonicotinic acid (4,4'-COOH-2,2'-bpy) assembles into extended molecular rows on both Au(111) and Ag(100) surfaces,... Read More about Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces.

Cyclic Single Atom Vertical Manipulation on a Nonmetallic Surface (2021)
Journal Article
Abbasi-Pérez, D., Sang, H., Junqueira, F. L. Q., Sweetman, A., Recio, J. M., Moriarty, P., & Kantorovich, L. (2021). Cyclic Single Atom Vertical Manipulation on a Nonmetallic Surface. Journal of Physical Chemistry Letters, 12(46), 11383-11390. https://doi.org/10.1021/acs.jpclett.1c02271

Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) sur... Read More about Cyclic Single Atom Vertical Manipulation on a Nonmetallic Surface.

Origin of C60 surface reconstruction resolved by atomic force microscopy (2021)
Journal Article
Forcieri, L., Taylor, S., Moriarty, P., & Jarvis, S. P. (2021). Origin of C60 surface reconstruction resolved by atomic force microscopy. Physical Review B, 104(20), Article 205428. https://doi.org/10.1103/PhysRevB.104.205428

Surface adsorption of C60 affects its chemical and electronic properties. Numerous studies have reported observation of bright and dark fullerenes on metal surfaces that suggest extensive surface reconstruction; however, the underpinning mechanism of... Read More about Origin of C60 surface reconstruction resolved by atomic force microscopy.

Chemical shielding of H2O and HF encapsulated inside a C60 cage (2021)
Journal Article
Jarvis, S. P., Sang, H., Junqueira, F., Gordon, O., Hodgkinson, J. E. A., Saywell, A., …Jones, R. G. (2021). Chemical shielding of H2O and HF encapsulated inside a C60 cage. Communications Chemistry, 4(1), Article 135. https://doi.org/10.1038/s42004-021-00569-0

Molecular surgery provides the opportunity to study relatively large molecules encapsulated within a fullerene cage. Here we determine the location of an H2O molecule isolated within an adsorbed buckminsterfullerene cage, and compare this to the intr... Read More about Chemical shielding of H2O and HF encapsulated inside a C60 cage.

Gender issues in fundamental physics: Strumia’s bibliometric analysis fails to account for key confounders and confuses correlation with causation (2021)
Journal Article
Ball, P., Britton, T. B., Hengel, E., Moriarty, P., Oliver, R. A., Rippon, G., …Wade, J. (2021). Gender issues in fundamental physics: Strumia’s bibliometric analysis fails to account for key confounders and confuses correlation with causation. Quantitative Science Studies, 2(1), 263-272. https://doi.org/10.1162/qss_a_00117

Alessandro Strumia recently published a survey of gender differences in publications and citations in high-energy physics (HEP). In addition to providing full access to the data, code, and methodology, Strumia (2020) systematically describes and acco... Read More about Gender issues in fundamental physics: Strumia’s bibliometric analysis fails to account for key confounders and confuses correlation with causation.

Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data (2018)
Journal Article
Rahe, P., Smith, E. F., Wollschläger, J., & Moriarty, P. J. (2018). Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data. Physical Review B, 97(12), https://doi.org/10.1103/PhysRevB.97.125418

We investigate the CaF1/Si(111) interface using a combination of high-resolution scanning tunnelling and noncontact atomic force microscopy operated at cryogenic temperature as well as x-ray photoelectron spectroscopy. Submonolayer CaF1 films grown a... Read More about Formation routes and structural details of the CaF1 layer on Si(111) from high-resolution noncontact atomic force microscopy data.

Automated extraction of single H atoms with STM: tip state dependency (2017)
Journal Article
Møller, M., Jarvis, S. P., Guérinet, L., Sharp, P., Woolley, R., Rahe, P., & Moriarty, P. (in press). Automated extraction of single H atoms with STM: tip state dependency. Nanotechnology, 28(7), https://doi.org/10.1088/1361-6528/28/7/075302

The atomistic structure of the tip apex plays a crucial role in performing reliable atomic-scale surface and adsorbate manipulation using scanning probe techniques. We have developed an automated extraction routine for controlled removal of single hy... Read More about Automated extraction of single H atoms with STM: tip state dependency.

A combined Monte Carlo and Hückel theory simulation of orientational ordering in C60 assemblies (2016)
Journal Article
Leaf, J., Stannard, A., Jarvis, S. P., Moriarty, P., & Dunn, J. L. (2016). A combined Monte Carlo and Hückel theory simulation of orientational ordering in C60 assemblies. Journal of Physical Chemistry C, 120(15), https://doi.org/10.1021/acs.jpcc.6b00638

Orientational ordering of C60 molecules within monolayer and multilayer islands is a regularly observed phenomenon in scanning tunnelling microscopy (STM) studies. Here we simulate the orientational ordering seen in STM images via a novel combination... Read More about A combined Monte Carlo and Hückel theory simulation of orientational ordering in C60 assemblies.

Physisorption controls the conformation and density of states of an adsorbed porphyrin (2015)
Journal Article
Jarvis, S. P., Taylor, S., Baran, J. D., Thompson, D., Saywell, A., Mangham, B., …Moriarty, P. (2015). Physisorption controls the conformation and density of states of an adsorbed porphyrin. Journal of Physical Chemistry C, 119(50), 27982-27994. https://doi.org/10.1021/acs.jpcc.5b08350

Conformational changes caused by adsorption can dramatically affect a molecule’s properties. Despite extensive study, however, the exact mechanisms underpinning conformational switching are often unclear. Here we show that the conformation of a proto... Read More about Physisorption controls the conformation and density of states of an adsorbed porphyrin.

Measuring the mechanical properties of molecular conformers (2015)
Journal Article
Jarvis, S. P., Taylor, S., Baran, J., Champness, N. R., Larsson, J., & Moriarty, P. (2015). Measuring the mechanical properties of molecular conformers. Nature Communications, 6(8338), https://doi.org/10.1038/ncomms9338

Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force... Read More about Measuring the mechanical properties of molecular conformers.