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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.

A LEGO TM Dynamic Force "Macroscope" (2020)
Journal Article
Taylor, D., Smaje, . H., & Moriarty, P. (2020). A LEGO TM Dynamic Force "Macroscope". American Journal of Physics, 88(11), Article 906. https://doi.org/10.1119/10.0001700

We describe the design, construction, and operation of a LEGO TM model of a dynamic force microscope, using magnetic forces as an analog of interatomic interactions. The "macroscope" provides key insights into the operating principles of frequency mo... Read More about A LEGO TM Dynamic Force "Macroscope".

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.

Measuring the reactivity of a silicon-terminated probe (2016)
Journal Article
Sweetman, A., Stirling, J., Jarvis, S. P., Rahe, P., & Moriarty, P. (2016). Measuring the reactivity of a silicon-terminated probe. Physical Review B, 94(11), Article 115440. https://doi.org/10.1103/PhysRevB.94.115440

It is generally accepted that the exposed surfaces of silicon crystals are highly reactive due to the dangling bonds which protrude into the vacuum. However, surface reconstruction can not only modify the reactivity of bulk silicon crystals, but play... Read More about Measuring the reactivity of a silicon-terminated probe.

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.

Visualizing the orientational dependence of an intermolecular potential (2016)
Journal Article
Jarvis, S. P., Rashid, M. A., Sweetman, A., Rashid, M. A., Jarvis, S. P., Dunn, J. L., …Moriarty, P. (2016). Visualizing the orientational dependence of an intermolecular potential. Nature Communications, 7, Article 10621. https://doi.org/10.1038/ncomms10621

Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-di... Read More about Visualizing the orientational dependence of an intermolecular potential.

Intermolecular artifacts in probe microscope images of C60 assemblies (2015)
Journal Article
Jarvis, S. P., Rashid, M. A., Sweetman, A., Leaf, J., Taylor, S., Moriarty, P., & Dunn, J. (2015). Intermolecular artifacts in probe microscope images of C60 assemblies. Physical review B: Condensed matter and materials physics, 92(24), https://doi.org/10.1103/PhysRevB.92.241405

Claims that dynamic force microscopy has the capability to resolve intermolecular bonds in real space continue to be vigorously debated. To date, studies have been restricted to planar molecular assemblies with small separations between neighboring m... Read More about Intermolecular artifacts in probe microscope images of 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.

Nano-contact microscopy of supracrystals (2015)
Journal Article
Sweetman, A., Goubet, N., Lekkas, I., Pileni, M. P., & Moriarty, P. (2015). Nano-contact microscopy of supracrystals. Beilstein Journal of Nanotechnology, 6, https://doi.org/10.3762/bjnano.6.126

Background: Highly ordered three-dimensional colloidal crystals (supracrystals) comprised of 7.4 nm diameter Au nanocrystals (with a 5% size dispersion) have been imaged and analysed using a combination of scanning tunnelling microscopy and dynamic f... Read More about Nano-contact microscopy of supracrystals.

Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7 : a combined STM, NC-AFM and DFT study (2015)
Journal Article
Jarvis, S. P., Sweetman, A., Lekkas, I., Champness, N. R., Kantorovich, L., & Moriarty, P. (2015). Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7 : a combined STM, NC-AFM and DFT study. Journal of Physics: Condensed Matter, 27(5), Article 054004. https://doi.org/10.1088/0953-8984/27/5/054004

The adsorption of naphthalene tetracarboxylic diimide (NTCDI) on Si(1 1 1)-7 × 7 is investigated through a combination of scanning tunnelling microscopy (STM), noncontact atomic force microscopy (NC-AFM) and density functional theory (DFT) calculatio... Read More about Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7 : a combined STM, NC-AFM and DFT study.

Critical assessment of the evidence for striped nanoparticles (2014)
Journal Article
Shankar, S. S., Stirling, J., Lekkas, I., Sweetman, A., Djuranovic, P., Guo, Q., …Moriarty, P. (2014). Critical assessment of the evidence for striped nanoparticles. PLoS ONE, 9(11), Article e108482. https://doi.org/10.1371/journal.pone.0108482

There is now a significant body of literature which reports that stripes form in the ligand shell of suitably functionalised Au nanoparticles. This stripe morphology has been proposed to strongly affect the physicochemical and biochemical properties... Read More about Critical assessment of the evidence for striped nanoparticles.

Intramolecular bonds resolved on a semiconductor surface (2014)
Journal Article
Sweetman, A., Jarvis, S. P., Rahe, P., Champness, N. R., Kantorovich, L., & Moriarty, P. (2014). Intramolecular bonds resolved on a semiconductor surface. Physical review B: Condensed matter and materials physics, 90(16), https://doi.org/10.1103/PhysRevB.90.165425

Noncontact atomic force microscopy (NC-AFM) is now routinely capable of obtaining submolecular resolution, readily resolving the carbon backbone structure of planar organic molecules adsorbed on metal substrates. Here we show that the same resolution... Read More about Intramolecular bonds resolved on a semiconductor surface.

Mapping the force field of a hydrogen-bonded assembly (2014)
Journal Article
Sweetman, A., Jarvis, S. P., Sang, H., Lekkas, I., Rahe, P., Wang, Y., …Moriarty, P. (2020). Mapping the force field of a hydrogen-bonded assembly. Nature Communications, 5, Article 3931. https://doi.org/10.1038/ncomms4931

Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essent... Read More about Mapping the force field of a hydrogen-bonded assembly.

Unique determination of “subatomic” contrast by imaging covalent backbonding (2014)
Journal Article
Sweetman, A., Rahe, P., & Moriarty, P. (2014). Unique determination of “subatomic” contrast by imaging covalent backbonding. Nano Letters, 14(5), https://doi.org/10.1021/nl4041803

The origin of so-called “subatomic” resolution in dynamic force microscopy has remained controversial since its first observation in 2000. A number of detailed experimental and theoretical studies have identified different possible physicochemical me... Read More about Unique determination of “subatomic” contrast by imaging covalent backbonding.

Scanning probe image wizard: a toolbox for automated scanning probe microscopy data analysis (2013)
Journal Article
Stirling, J., Woolley, R., & Moriarty, P. (2013). Scanning probe image wizard: a toolbox for automated scanning probe microscopy data analysis. Review of Scientific Instruments, 84(113701), Article 113701. https://doi.org/10.1063/1.4827076

We describe SPIW (scanning probe image wizard), a new image processing toolbox for SPM (scanning probe microscope) images. SPIW can be used to automate many aspects of SPM data analysis, even for images with surface contamination and step edges prese... Read More about Scanning probe image wizard: a toolbox for automated scanning probe microscopy data analysis.

Fingering Instabilities in Dewetting Nanofluids (2008)
Journal Article
Pauliac-Vaujour, E., Stannard, A., Martin, C., Blunt, M., Notingher, I., Moriarty, P., …Thiele, U. (2008). Fingering Instabilities in Dewetting Nanofluids. Physical Review Letters, 100,

The growth of fingering patterns in dewetting nanofluids (colloidal solutions of thiol-passivated gold nanoparticles) has been followed in real time using contrast-enhanced video microscopy. The fingering instability on which we focus here arises fro... Read More about Fingering Instabilities in Dewetting Nanofluids.

Anisotropic Assembly of Colloidal Nanoparticles: Exploiting Substrate Crystallinity (2007)
Journal Article
Hayton, J., Pauliac-Vaujour, E., & Moriarty, P. (2007). Anisotropic Assembly of Colloidal Nanoparticles: Exploiting Substrate Crystallinity. NANO, 2(6), https://doi.org/10.1142/S1793292007000714

We show that the crystal structure of a substrate can be exploited to drive the anisotropic assembly of colloidal nanoparticles. Pentanethiol-passivated Au particles of approximately 2 nm diameter deposited from toluene onto hydrogen-passivated Si(11... Read More about Anisotropic Assembly of Colloidal Nanoparticles: Exploiting Substrate Crystallinity.

Controlling Pattern Formation in Nanoparticle Assemblies via Directed Solvent Dewetting (2007)
Journal Article
Martin, C., Blunt, M., Pauliac-Vaujour, E., Stannard, A., Moriarty, P., Vancea, I., & Thiele, U. (2007). Controlling Pattern Formation in Nanoparticle Assemblies via Directed Solvent Dewetting. Physical Review Letters, 99,

We have achieved highly localised control of pattern formation in two dimensional nanoparticle assemblies by direct modification of solvent dewetting dynamics. A striking dependence of nanoparticle organisation on the size of atomic force microscope-... Read More about Controlling Pattern Formation in Nanoparticle Assemblies via Directed Solvent Dewetting.

Nanotechnology: radical new science or plus ça change? (2005)
Journal Article
Moriarty, P. (2005). Nanotechnology: radical new science or plus ça change?. Nanotechnology Perceptions, 1,

Is a radical nanotechnology involving the construction of macroscopic products via software-directed manipulation of single molecules possible? Are we only a few decades away from a technological utopia where virtually any product may be constructed... Read More about Nanotechnology: radical new science or plus ça change?.