Items where Author is "Shuttleworth, IG"

Journal article

SHUTTLEWORTH, I.G., 2023. Moments analysis of the binding of metal, oxygen and hydrogen atoms to strained Co(0001), Ru(0001) and Os(0001). Chemical Physics, 566: 111788. ISSN 0301-0104

SHUTTLEWORTH, I.G., 2022. The influence of steric and ligand effects on metal- and alloy-supported oxygenated and hydrogenated Pt(111). Science Talks, 3: 100025. ISSN 2772-5693

SHUTTLEWORTH, I.G., 2022. On length scales and approximations in the modelling of applied surface science phenomena. Science Talks, 2: 100006. ISSN 2772-5693

SHUTTLEWORTH, I.G., 2020. The magnetic band-structures of ordered PtxFe1−x, PtxCo1−x, and PtxNi1−x (x = 0.25, 0.50, and 0.75). Magnetochemistry, 6 (4): 61. ISSN 2312-7481

SHUTTLEWORTH, I.G., 2020. On the role of the van der Waals interaction in gecko adhesion: a DFT perspective. Results in Materials, 6: 100080. ISSN 2590-048X

SHUTTLEWORTH, I.G., 2019. Efficient methods of X-ray diffraction pattern inversion. Results in Physics, 15: 102605. ISSN 2211-3797

SHUTTLEWORTH, I.G., 2018. The quasiparticle band structures of ordered NixPt1-x. Heliyon, 4 (12): e01000. ISSN 2405-8440

SHUTTLEWORTH, I.G., 2018. Binding site transitions across strained oxygenated and hydroxylated Pt(111). ChemistryOpen, 7 (5), pp. 356-369. ISSN 2191-1363

SHUTTLEWORTH, I.G., 2018. Magnetism in the strained ordered phases of Pt x Fe 1-x and Pt x Co 1-x ( x =0.25, 0.5, and 0.75). Journal of Physics and Chemistry of Solids, 114, pp. 153-162. ISSN 0022-3697

SHUTTLEWORTH, I.G., 2017. The effects of strain on the ordered phases of Ni x Pt1 -x (x=0.25, 0.5, and 0.75). Chemical Physics Letters, 689, pp. 41-47. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2017. Development of the ReaxFF reactive force-field description of gold oxides. The Journal of Physical Chemistry C, 121 (45), pp. 25255-25270. ISSN 1932-7447

SHUTTLEWORTH, I.G., 2017. Strain engineering of H/transition metal systems. Surface Science, 661, pp. 49-59. ISSN 0039-6028

SHUTTLEWORTH, I.G., 2016. Non-linear modelling of the effects of strain on transition metal surfaces. Chemical Physics Letters, 666, pp. 51-57. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2016. Controlled FCC/on-top binding of H/Pt(111) using surface stress. Applied Surface Science, 378, pp. 286-292. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2016. Strain engineering of the CeNi5 system. Magnetochemistry, 2 (4), p. 39. ISSN 2312-7481

SHUTTLEWORTH, I.G., 2015. Bond length effects during the dissociation of O2 on Ni(111). Applied Surface Science, 346, pp. 329-334. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2015. Strategies for reducing basis set superposition error (BSSE) in O/AU and O/Ni. Journal of Physics and Chemistry of Solids, 86, pp. 19-26. ISSN 1879-2553

SHUTTLEWORTH, I.G., 2014. Elucidation of the indirect H–H interaction in (2 × 1)-H/Pd(3 1 1) and on Pd(1 1 1). Chemical Physics Letters, 592. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2014. Identification of the c(10×6)-CN/Cu(001) surface structure. Applied Surface Science, 321, pp. 358-363. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2014. The magnetic properties of Ce/Pd surface alloys investigated using DFT. Chemical Physics Letters, 605606, pp. 5-9. ISSN 0009-2614

SHUTTLEWORTH, I.G., 2013. Band structure analysis of (1 × 2)-H/Pd(110)-pr. Surface Science, 615. ISSN 0039-6028

SHUTTLEWORTH, I.G., 2013. Investigation of the (1 x 2)-H/Pd(1 1 0)-pr system using DFT. Chemical Physics Letters, 568569, pp. 117-120. ISSN 0000-2614

SHUTTLEWORTH, I.G., 2013. Investigation of the H–Cu and Cu–Cu bonds in hydrogenated Cu. Journal of Physics and Chemistry of Solids, 74 (1), pp. 128-134. ISSN 0022-3697

SHUTTLEWORTH, I.G., 2012. Comparative investigation of the c(2 × 2)-Si/Cu(0 1 1) and (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloys using DFT. Applied Surface Science, 258 (8), pp. 3475-3484. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2012. Investigation of the bonding of SiHn and CHn (n = 1,…,3) on Cu(1 1 1) using DFT. Applied Surface Science, 258 (19). ISSN 0169-4332

SHUTTLEWORTH, I.G., 2012. The direct inversion of helium atom scattering (HAS) diffraction spectra. Surface Review and Letters, 19 (1). ISSN 0218-625X

SHUTTLEWORTH, I.G., 2011. Investigation of the (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloy using DFT. Applied Surface Science, 257 (15), pp. 6792-6798. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2011. The catalytic properties of sub-surface H layers on Cu(1 1 1). Chemical Physics Letters, 514 (13). ISSN 0009-2614

ERMAKOV, A.V., CIFTLIKLI, E.Z., SYSSOEV, S.E., SHUTTLEWORTH, I.G. and HINCH, B.J., 2010. A surface work function measurement technique utilizing constant deflected grazing electron trajectories: oxygen uptake on Cu(001). Review of Scientific Instruments, 81 (10). ISSN 0034-6748

SHUTTLEWORTH, I.G., 2009. Deduction of a three-phase model for the (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloy. Applied Surface Science, 256 (3), pp. 636-639. ISSN 0169-4332

SHUTTLEWORTH, I.G., 2008. Development of a novel dual time-of-flight imaging mass spectrometer: principal, realization, and optimal performance. Surface Review and Letters, 15 (04), pp. 369-389. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2008. Improvements to the radius of convergence of direct inversion techniques in helium atom scattering. Surface Review and Letters, 15 (5), pp. 519-523. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2008. Investigations of the CN/Cu(1 1 1) system using density functional theory. Surface Science, 602 (21). ISSN 0039-6028

SHUTTLEWORTH, I.G., 2007. Analysis of the (3x3)-H/Cu(111) system using eikonal-level helium atom scattering simulations. Surface Review and Letters, 14 (6), pp. 1089-1093. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Benchmarking Patterson analysis in helium atom scattering. Surface Review and Letters, 14 (1), pp. 1-4. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Development of direct methods of data inversion in helium atom scattering. Surface Review and Letters, 14 (2), pp. 321-327. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Studies of the adsorption of acetonitrile (CH3CN) on Cu(001) using helium atom scattering. Surface Review and Letters, 14 (3), pp. 387-394. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. Studies of the adsorption of cyanogen (C2N2) on Cu(001) using helium atom scattering. Surface Review and Letters, 14 (5), pp. 863-872. ISSN 0218-625X

SHUTTLEWORTH, I.G., 2007. The saturated (3x3)-H/Cu(111) system: a structural study using medium-energy ion scattering and helium atom scattering. Surface Review and Letters, 14 (6), pp. 1191-1198. ISSN 0218-625X

LUO, M.F., MACLAREN, D.A., SHUTTLEWORTH, I.G. and ALLISON, W., 2003. Preferential sub-surface occupation of atomic hydrogen on Cu(111). Chemical Physics Letters, 381 (56), pp. 654-659. ISSN 0009-2614

SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., JONES, R.G. and WOODRUFF, D.P., 2002. A NIXSW structural investigation of the low temperature silyl phase formed by SiH4 reaction with Cu(111). Chemical Physics Letters, 351 (34), pp. 208-212. ISSN 0009-2614

JONES, R.G., CHAN, A.S.Y., ROPER, M.G., SKEGG, M.P., SHUTTLEWORTH, I.G., FISHER, C.J., JACKSON, G.J., LEE, J.J., WOODRUFF, D.P., SINGH, N.K. and COWIE, B.C.C., 2002. X-ray standing waves at surfaces. Journal of Physics: Condensed Matter, 14 (16), pp. 4059-4074. ISSN 0953-8984

SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., JONES, R.G. and WOODRUFF, D.P., 2001. A NIXSW structural investigation of the (√3×√3)R30°-Cu2Si surface alloy phase formed by SiH4 reaction with Cu(1 1 1). Surface Science, 491 (12). ISSN 0039-6028

JONES, R.G., SHUTTLEWORTH, I.G., FISHER, C.J., LEE, J.J., BASTOW, S.L., ITHNIN, R., LUDECKE, J., SKEGG, M.P., WOODRUFF, D.P. and COWIE, B.C.C., 2001. Surface structure determination using x-ray standing waves. Physics of Low-Dimensional Structures, 1112, pp. 1-26. ISSN 0204-3467

SHUTTLEWORTH, I.G. and ALLISON, W., 2001. The adsorption and desorption processes accompanying the chemical vapour deposition of silane on Cu(111) and Ni(111). Surface Review and Letters, 8 (6), pp. 613-620. ISSN 0218-625X