Outputs (30)

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.

Embedding human heuristics in machine-learning-enabled probe microscopy (2020)
Journal Article
Gordon, O. M., Junqueira, F. L. Q., & Moriarty, P. J. (2020). Embedding human heuristics in machine-learning-enabled probe microscopy. Machine Learning, 1(1), Article 015001. https://doi.org/10.1088/2632-2153/ab42ec

Scanning probe microscopists generally do not rely on complete images to assess the quality of data acquired during a scan. Instead, assessments of the state of the tip apex, which not only determines the resolution in any scanning probe technique, b... Read More about Embedding human heuristics in machine-learning-enabled probe microscopy.

Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles (2019)
Journal Article
Gordon, O., D'hondt, P., Knijff, L., Freeney, S., Junqueira, F., Moriarty, P., & Swart, I. (2019). Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles. Review of Scientific Instruments, 90(10), https://doi.org/10.1063/1.5099590

One of the largest obstacles facing scanning probe microscopy is the constant need to correct flaws in the scanning probe in situ. This is currently a manual, time-consuming process that would benefit greatly from automation. Here we introduce a conv... Read More about Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles Scanning Tunnelling State Recognition With Multi-Class Neural Network Ensembles.

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.

Mechano-chemical manipulation of Sn chains on Si(1 0 0) by NC-AFM (2016)
Journal Article
Sweetman, A., Lekkas, I., & Moriarty, P. (2016). Mechano-chemical manipulation of Sn chains on Si(1 0 0) by NC-AFM. Journal of Physics: Condensed Matter, 29(7), Article 074003. https://doi.org/10.1088/1361-648X/29/7/074003

We investigate the atomic structure of Sn dimer chains grown on the Si(1 0 0) surface using non-contact atomic force microscopy (NC-AFM) at cryogenic temperatures. We find that similar to the native Si(1 0 0) dimer structure, the ground state of the... Read More about Mechano-chemical manipulation of Sn chains on Si(1 0 0) by NC-AFM.