George Darling's Publications

Publications List

Strain relief and disorder in commensurate water layers formed on Pd(111)
F. McBride, A. Omer, C. M. Clay, L. Cummings, G. R. Darling and A. Hodgson, J. Phys.: Condens. Matter 102 124102 (2012).
Chemical Bonding and Atomic Structure in Y₂O₃ :ZrO₂-SrTiO₃ Layered Heterostructures
M. S. Dyer, G. R. Darling, J. B. Claridge and M. J. Rosseinsky, Angew. Chem. Int. Ed. 51 3418-3422 (2012).
Tailoring the Structure of Water at a Metal Surface: A Structural Analysis of the Water Bilayer Formed on an Alloy Template
F. McBride, G. R. Darling, K. Pussi and A. Hodgson, Phys. Rev. Lett. 106 226101 (2011).
Dynamic Chiral Flipping within Strongly Chemisorbed Molecular Monolayers at Surfaces
N. Liu, G. R. Darling and R. Raval, Chem. Commun. 47, 11324-6 (2011).
The Solid-State Structures of Dimethylzinc and Diethylzinc
J. Bacsa, F. Hanke, S. Hindley, R. Odedra, G. R. Darling, A. C. Jones and A. Steiner, Angew. Chem. Int. Ed. 50 11685-11687 (2011).
An Adaptable Peptide-Based Porous Material
J. Rabone, Y.-F. Yue, S. Y. Chong, K. C. Stylianou, J. Bacsa, D. Bradshaw, G. R. Darling, N. G. Berry, Y. Z. Khimyak, A. Y. Ganin, P. Wiper, J. B. Claridge and M. J. Rosseinsky, Science 329, 1053-7 (2010).
Polymorphism control of superconductivity and magnetism in Cs₃C₆₀ close to the Mott transition
Y. Ganin, Y. Takabayashi, P. Jeglič, D. Arčon, A. Potočnik, P. J. Baker, Y. Ohishi, M.T. McDonald, M.D. Tzirakis, A. McLennan, G.R. Darling, M. Takata, M.J. Rosseinsky, K. Prassides, Nature 466 221-5 (2010).
Stabilization of a Complex Perovskite Superstructure under Ambient Conditions: Influence of Cation Composition and Ordering, and Evaluation as an SOFC Cathode
A. Demont, M. S. Dyer, R. Sayers, M. F. Thomas, M. Tsiamtsouri, H. N. Niu, G. R. Darling, A. Daoud-Aladine, J. B. Claridge and M. J. Rosseinsky, Chem. Mater. 22 6598-6615 (2010)
Role of the self-interaction error in studying chemisorption on graphene from first-principles
S. Casolo, E. Flage-Larsen, O. M. Løvvik, G. R. Darling and G. F. Tantardini, Phys. Rev. B 81 205412 (2010)
Magnesium Borohydride Confined in a Metal-Organic Framework: A Preorganized System for Facile Arene Hydroboration
M. J. Ingleson, J. P. Barrio, J. Bacsa, A. Steiner, G. R. Darling, J. T. A. Jones, Y. Z. Khimyak and M. J. Rosseinsky, Angew. Chem. Int. Ed. 48 2012-6 (2009).
Order and disorder in the wetting layer on Ru(0001)
M. Gallagher, A. Omer, G. R. Darling and A. Hodgson, Faraday Discuss. 141 231 (2009).
Wetting of mixed OH/H₂O layers on Pt(111)
G. Zimbitas, M. Gallagher, G. R. Darling and A. Hodgson, J. Chem. Phys. 128 074701 (2008).
"Naked" fluoride binding sites for physisorptive hydrogen storage
A. Trewin, G. R. Darling and A. I. Cooper, New J. Chem. 32 17-20 (2008).
Chiral II-VI Semiconductor Nanostructure Superlattices Based on an Amino Acid Ligand
J. N. Rebilly, P. W. Gardner, G. R. Darling, J. Bacsa and M. J. Rosseinsky, Inorg. Chem. 47 9390-9 (2008).
Intermolecular Overlap Geometry Gives Two Classes of Fulleride Superconductor: Electronic Structure of 38 K T_c Cs₃C₆₀
G. R. Darling, A. Y. Ganin, M. J. Rosseinsky, Y. Takabayashi and K. Prassides, Phys. Rev. Lett. 101 136404 (2008).
The Chemical Response of Main Group Extended Solids to Formal Mixed Valency - the Case of Li_xBC
A. M. Fogg, G. R. Darling, J. B. Claridge, J. Meldrum and M. J. Rosseinsky, Phil. Trans. R. Soc. A 266 55-62 (2008).
Intra-molecular Energy Flow in Gas-Surface Collisions
G.R. Darling in Handbook of Surface Science Vol. 3, Eds. E. Hasselbrink and B. I. Lundqvist (Elsevier, Amsterdam, 2008), 141.
Direct Visualisation of Enantiospecific Substitution of Chiral Guest Molecules into Heterochiral Molecular Assemblies at Surfaces
N. Liu, S. Haq, G. R. Darling and R. Raval, Angew. Chem. Int. Ed. 46 7613-6 (2007).
Spontaneous Emergence of Cl^- Anions from NaCl(100) at Low Relative Humidity
P. Cabrera-Sanfelix, D. Sanchez-Portal, A. Verdaguer, G. R. Darling, M. Salmeron and A. Arnau, J. Phys. Chem. C 111 8000-4 (2007).
Monolayer adsorption of water on NaCl(100)
P. Cabrera-Sanfelix, G. R. Darling and S. Holloway, Appl. Surf. Sci. 254 87-91 (2007).
Dissociative adsorption of water at vacancy defects in graphite
P. Cabrera-Sanfelix and G. R. Darling, J. Phys. Chem. C 111 18258-63 (2007).
On the structure of the first hydration layer on NaCl(100): Role of hydrogen bonding
P. Cabrera-Sanfelix, A. Arnau, G. R. Darling and D. Sanchez-Portal, J. Chem. Phys. 126 214707 (2007).
Growth of intact water ice on Ru(0001) between 140K and 160K: Experiment and density-functional theory calculations
S. Haq, C. Clay, G. R. Darling, G. Zimbitas and A. Hodgson, Phys. Rev. B 73 115414 (2006).
Chemical control of electronic structure and superconductivity in layered borides and borocarbides - understanding the absence of superconductivity in Li_xBC
A. M. Fogg, J. Meldrum, G. R. Darling, J. B. Claridge and M. J. Rosseinsky, J. Am. Chem. Soc. 128 10043-53 (2006).
Water Adsorption and Diffusion on NaCl(100)
P. Cabrera-Sanfelix, A. Arnau, G. R. Darling and D. Sanchez-Portal, J. Phys. Chem. B 110 24559-64 (2006)
Protons colliding with ice: Bouncing, sticking, splashing
A. Al-Halabi, P. Cabrera-Sanfelix, S. Holloway, G.-J. Kroes and G. R. Darling, Surf. Sci. 600, 4247-50 (2006).
Protons colliding with crystalline ice: proton reflection and collision induced water desorption at low incidence energies
P. Cabrera Sanfelix, A. Al-Halabi, G. R. Darling, S. Holloway and G.-J. Kroes, J. Am. Chem. Soc. 127 3944-51 (2005).
Computational studies of nonadiabatic effects in gas-surface encounters
C. Corriol, G. R. Darling and S. Holloway, Israel J. Chem. 45 1-12 (2005)
Electronic structure, magnetic ordering and formation pathway of the transition metal oxide hydride LaSrCoO₃H_0.7
C. A. Bridges, G. R. Darling, M. A. Hayward and M. J. Rosseinsky, J. Am. Chem. Soc.127 5996-6011 (2005).
Molecular trapping in the dissociation dynamics of N₂ on W(110)
C. Corriol and G.R. Darling, Surf. Sci. 557 L156-L162 (2004).
The surface temperature dependence of the inelastic scattering and dissociation of hydrogen molecules from metal surfaces
Z.S. Wang, G.R. Darling and S. Holloway, J. Chem. Phys. 120 2923-33 (2004).
Vibrational properties of hexagonal LiBC: Infrared and Raman spectroscopy
J. Hlinka, V. Zelezny, I. Gregora, J. Pokorny, A.M. Fogg, J.B. Claridge, G.R. Darling and M.J. Rosseinsky, Phys. Rev. B 68 220510 (2003).
H₂ dissociation dynamics on metals: where do we stand?
G.R. Darling and S. Holloway, The Chemical Physics of Solid Surfaces 11 27-49 (2003).
Steering in non-dissociative chemisorption: ethylene on Ag(410)
L. Savio, L. Vattuone, M. Rocca, C. Corriol, G.R. Darling and S. Holloway, Chem. Phys. Lett. 382 605-10 (2003).
The Mott-Hubbard insulating state and orbital degeneracy in the superconducting C₆₀^(3-) fulleride family
P. Durand, G.R. Darling, Y. Dubitsky, A. Zaopo and M.J. Rosseinsky, Nat. Mater. 2 605-610 (2003).
LiBC - electronic, vibrational, structural and low-temperature chemical behaviour of a layered material isoelectronic with MgB₂
A.M. Fogg, P.R. Chalker, J.B. Claridge, G.R. Darling and M.J. Rosseinsky, Phys. Rev. B 67, 245106 (2003).
Synthesis and characterisation of Li_xBC - hole doping does not induce superconductivity
A.M. Fogg, J.B. Claridge, G.R. Darling and M.J. Rosseinsky, Chem. Commun., 2003, 1348-1349.
Incidence angle dependence of scattering and dissociation of O₂ on Al(111): Possible weakly bound molecular precursors
O. Weiße, C. Wesenberg, M. Binetti, E. Hasselbrink, C. Corriol, G.R. Darling and S. Holloway, J. Chem. Phys. 118, 8010-8015 (2003).
The Potential Energy Surface for Dissociation of N₂ on W(100)
M. Serrano and G.R. Darling, Surf. Sci. 532-535, 206-212 (2003).
The Structure of Water on the (0001) Surface of Graphite
P. Cabrera Sanfelix, S. Holloway, K.W. Kolasinski and G.R. Darling, Surf. Sci. 532-535, 166-172 (2003).
Angular Dependence of Dissociation in Steering-Dominated Activated Reaction
C.Corriol, G.R. Darling and S. Holloway, Surf. Sci. 532-535, 198-205 (2003).
Time-Dependent Quantum Calculations of Negative-Ion Formation in Scattering of Atoms from Alkali-Halide Surfaces
G.R. Darling, R. Kosloff and Y. Zeiri, Surf. Sci. 528, 84-90 (2003).
Vibrational Heating in Electron Stimulated Desorption of CO from Transition Metals: A Classical Mechanics Analysis
C. Corriol, G.R. Darling, S. Holloway, I. Andrianov, T. Klamroth and P. Saalfrank, Surf. Sci. 528, 27-34 (2003).
Theory of Electron Stimulated Desorption and Dissociation of CO at Transition Metals
C. Corriol, G.R. Darling, S. Holloway, W. Brenig, I. Andrianov, T. Klamroth and P. Saalfrank, J. Chem. Phys. 117, 4489-4498 (2002).
Test of Approximations to Surface Thermal Motion in Gas-Surface Dynamics: Linear Versus Quadratic Coupling
Z.S. Wang, G.R. Darling, B. Jackson and S. Holloway, J. Phys. Chem. B 106, 8422-8428 (2002).
Energy Exchange in Reactive Scattering of Hydrogen Molecules from a Cu Surface
G.R. Darling, Z.S. Wang and S. Holloway, Chem. Phys. Lett. 365, 157-163 (2002).
Vibration-Rotational Coupling of H₂ Molecules Scattering from the Cu(111) Surface
Z.S. Wang, G.R. Darling and S. Holloway, Surf. Sci. 504, 66-74 (2002).
Molecular Reaction Dynamics: Surfaces
G.R. Darling, S. Holloway and C.T. Rettner in The Encyclopedia of Chemical Physics and Physical Chemistry, Eds. J.H. Moore and N.D. Spencer (IOP Publishing, Bristol 2001), 775-794.
Dissociation Dynamics from a de Broglie-Bohm Perspective
Z.S. Wang, G.R. Darling and S. Holloway, J. Chem. Phys. 115, 10373 (2001).
Surface Temperature Dependence of the Inelastic Scattering of Hydrogen Molecules from Metal Surfaces
Z.S. Wang, G.R. Darling and S. Holloway, Phys. Rev. Lett. 87, 226102 (2001)
Translation-to-Rotational Energy Transfer in Scattering of H₂ Molecules from Cu(111) Surfaces
Z.S. Wang, G.R. Darling and S. Holloway, Surf. Sci. 458, 63-70 (2000).
Exploring the Applicability of Classical Mechanics in H₂ Scattering and Reaction at Metal Surfaces
G.R. Darling, Z.S. Wang and S. Holloway, Phys. Chem. Chem. Phys. 2, 911-917 (2000).
Charge Transfer Reactions in Atom Scattering from Ionic Surfaces: A Time-Dependent Wavepacket Approach
G.R. Darling, Y. Zeiri and R. Kosloff, Faraday Discuss. 117, 41-54 (2000).
Analysis of a Semi-Quantal Method for Molecular Dynamics
D.C. Harris, G.R. Darling and S. Holloway, Surf. Sci. 433-5, 838-842 (1999).
The Steering of Molecules in Simple Dissociation Reactions
G.R. Darling, M. Kay and S. Holloway, Surf. Sci. 400, 314 (1998).
The Angular Dependence of the Dissociation of H₂ on Cu(111) in the Tunneling Regime
G.R. Darling and S. Holloway, Faraday Discuss. 110, 253 (1998).
Comparing Quantum and Classical Dynamics: H₂ Dissociation on W(100)
M. Kay, G.R. Darling and S. Holloway, J. Chem. Phys. 108, 4614 (1998).
The Effect of Initial Rotations on the Sticking of NO on Pt(111)
A.D. Kinnersley, G.R. Darling and S. Holloway, Surf. Sci. 377-379, 567-571 (1997).
A Comparison of Quantum and Classical Dynamics of H₂ Scattering from Cu(111)
A.D. Kinnersley, G.R. Darling and S. Holloway, Surf. Sci. 377-379, 563-566 (1997).
Adiabatic Analysis of Quantum Dynamics
G.R. Darling, M. Kay and S. Holloway, Phys. Rev. Lett. 78, 1731-1735 (1997).
How Far Can Classical Dynamics be Trusted When Treating Surface Reactions
S. Holloway, M. Kay and G.R. Darling, Faraday Discuss. 105, 209-223 (1996).
Quantum versus Classical Dynamics in Hydrogen Dissociation
A.D. Kinnersley, G.R. Darling, S. Holloway and B. Hammer, Surf. Sci. 364, 219-234 (1996).
The Dissociation of Diatomic Molecules at Surfaces
G.R. Darling and S. Holloway, Rep. Prog. Phys. 58, 1595-1672 (1995).
The Dissociative Adsorption of H₂: Time-Dependent Quantum Studies
S. Holloway and G.R. Darling, Appl. Phys. A 61, 511-517 (1995).
Steering Effects in Non-Activated Adsorption
M. Kay, G.R. Darling, S. Holloway, J.A. White and D.M. Bird, Chem. Phys. Lett. 245, 311-318 (1995).
Theory of Laser-Induced Desorption of Ammonia from Cu(111): State-Resolved Dynamics, Isotope Effects and Selective Surface Photochemistry
P.Saalfrank, S. Holloway and G.R. Darling, J. Chem. Phys. 103, 6720-6734 (1995).
Hot Electron Mediated Photodesorption: A Time-Dependent Approach Applied to NO/Pt(111)
S.M. Harris, S. Holloway and G.R. Darling, J. Chem. Phys. 102, 8235-8248 (1995).
Can We "Measure" a Potential Energy Surface for a Gas-Surface System?
S. Holloway and G.R. Darling, Surface Review and Letters 1, 115-127 (1994).
Surface Temperature Effects in the Dissociative Adsorption of D₂/Cu(111) Revisited
G.R. Darling and S. Holloway, Surface Science 321, L189-L194 (1994).
A Theoretical Study of the Vibrational Excitation of NO/Ag(111)
G.A. Gates, G.R. Darling and S. Holloway, J. Chem. Phys. 101, 6281-6288 (1994).
Rotational Motion and the Dissociation of H₂ on Cu(111)
G.R. Darling and S. Holloway, J. Chem. Phys. 101, 3268-3281 (1994).
Dissociation Thresholds and the Vibrational Excitation Process in the Scattering of H₂
G.R. Darling and S. Holloway, Surf. Sci. 307-309, 153-158 (1994).
The Role of Parallel Momentum in the Dissociative Adsorption of H₂ at Highly Corrugated Surfaces
G.R. Darling and S. Holloway, Surf. Sci. 304, L461-L467 (1994).
Non-Adiabatic Effects in the Fragmentation of H₂ at Surfaces
G.A. Gates, G.R. Darling and S. Holloway, Chem. Phys. 179, 199-213(1994).
Rotational Effects in the Dissociative Adsorption of H₂ on Cu(111)
G.R. Darling and S. Holloway, Faraday Discuss. 96, 43 (1993).
How Steeply Curved Reaction Paths Influence Dissociation and Vibrational Excitation Processes
G.R. Darling and S. Holloway, J. Electron Spectrosc. and Relat. Phenom. 64/65, 571-576 (1993).
Vibrationally Enhanced Dissociation; What Can Theory Offer?
S. Holloway and G.R. Darling, Comments on Atomic and Molecular Physics 27, 335-348 (1992).
Angular and Vibrational Dependencies in the Sticking and Scattering of H₂ from Metal Surfaces
G.R. Darling and S. Holloway, J. Chem. Phys. 97, 5182-5192 (1992).
Translation-to-Vibrational Excitation in the Dissociative Adsorption of D₂
G.R. Darling and S. Holloway, J. Chem. Phys. 97, 734-736 (1992).
Vibrational Effects in the Associative Desorption of H₂
G.R. Darling and S. Holloway, Surf. Sci. 268, L305-L310 (1992).
Enhanced Diffraction of Vibrationally Excited Molecules from Surfaces
G.R. Darling and S. Holloway, Chem. Phys. Lett. 191, 396-400(1992).
Angular Dependence of Sticking and Scattering From a Reactive Surface
G.R. Darling and S. Holloway, Surf. Sci. 244, L81-L86 (1991).
Resonance Mediated Dissociative Adsorption of Hydrogen
G.R. Darling and S. Holloway, J. Chem. Phys. 93, 9145-9156 (1990).
A Theoretical Study of the Structure and Reactivity of Carbon and Graphite Layers on Nickel Surfaces
G.R. Darling, J.B. Pendry and R.W. Joyner, Surf. Sci. 221, 69-90 (1989).
Theoretical Calculations on the Stability of Carbide Layers at Transition Metal Surfaces
G.R. Darling, R.W. Joyner and J.B. Pendry, in Structure and Reactivity of Surfaces, Eds. C. Morterra, A. Zecchina and G. Costa (Elsevier, Amsterdam, 1989), pp. 335-345.
Stability of Bulk and Surface Carbide Layers and Their Relation to the Fischer-Tropsch Hydrocarbon Synthesis
R.W. Joyner, G.R. Darling and J.B.Pendry, Surf. Sci. 205, 513-522 (1988).

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