O. Warschkow

发表

A comprehensive survey of M2AX phase elastic properties

D R McKenzie, D. Mckenzie, M. Bilek, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

TiO2-rich reconstructions of SrTiO3(001): A theoretical study of structural patterns

N. Erdman, L. Marks, K. Poeppelmeier, 2004 .

Density functional study of oxygen on Cu(100) and Cu(110) surfaces

B. Delley, C. Stampfl, X. Duan, 2010 .

Ab initio simulations of nitrogen evolution in quenched CNx and SiBCN amorphous materials

D. Mckenzie, M. Bilek, J. Houska, 2005 .

Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface

B. Delley, C. Stampfl, Matthew Lyle, 2015 .

n-type doping of germanium from phosphine: early stages resolved at the atomic level.

G. Capellini, D. Mckenzie, M. Simmons, 2012, Physical review letters.

Elastic properties of Tin+1AlCn and Tin+1AlNn MAX phases

D. Mckenzie, M. F. Cover, O. Warschkow, 2008 .

Defect and Electronic Structures of Calcium-Doped Lanthanum Cuprate

J. Cohen, J. Okasinski, D. Ellis, 1999 .

Pathways for thermal phosphorus desorption from the silicon (001) surface

D. Mckenzie, N. Marks, O. Warschkow, 2010 .

NH3 on Si(001) : Can Gaussian cluster and planewave slab models agree on energetics?

N. Marks, O. Warschkow, T. L. McDonell, 2007 .

Orientation and stability of a bi-functional aromatic organic molecular adsorbate on silicon.

S. R. Schofield, K. O'Donnell, L. Thomsen, 2016, Physical chemistry chemical physics : PCCP.

Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface

B. Delley, C. Stampfl, Matthew Lyle, 2010 .

Open Research Online Determination of the preferred reaction pathway of acetophenone on Si(001) using photoelectron diﬀraction.

S. R. Schofield, H. Hedgeland, S. Schofield, 2022 .

A Divide-and-Conquer Implementation of the Discrete Variational DFT Method for Large Molecular and Solid Systems

D. Ellis, J. Dyke, O. Warschkow, 1998 .

Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface.

S. R. Schofield, M. Radny, S. Schofield, 2009, Physical chemistry chemical physics : PCCP.

Reaction intermediates of methanol synthesis and the water-gas-shift reaction on the ZnO(0001) surface

B. Delley, C. Stampfl, O. Warschkow, 2010 .

Electronic structure models of phosphorus 0-doped silicon

D. J. Carter, D. Mckenzie, N. Marks, 2009 .

Phosphorus δ-doped silicon: mixed-atom pseudopotentials and dopant disorder effects

D. J. Carter, D. Mckenzie, N. Marks, 2011, Nanotechnology.

Defects and Charge Transport near the Hematite (0001) Surface: An Atomistic Study of Oxygen Vacancies

D. Ellis, T. Mason, O. Warschkow, 2002 .

Adsorption and Dissociation of a Bicyclic Tertiary Diamine, Triethylenediamine, on a Si(100)-2 × 1 Surface

S. R. Schofield, K. O'Donnell, J. Zhao, 2016 .

UV Photoelectron Spectra of the μ-Hydrido Bridge-Bonded Molecules B2H6, GaBH6, and Ga2H6

J. Dyke, L. Andrews, A. J. Downs, 1996 .

A theoretical and experimental study of lead substitution in calcium hydroxyapatite.

M. Bedzyk, J. Okasinski, D. Ellis, 2006, Physical chemistry chemical physics : PCCP.

The effect of argon on the structure of amorphous SiBCN materials: an experimental and ab initio study

D. Mckenzie, J. Vlček, J. Houska, 2006 .

Dissociation of CH3–O as a Driving Force for Methoxyacetophenone Adsorption on Si(001)

S. R. Schofield, K. O'Donnell, L. Thomsen, 2019, The Journal of Physical Chemistry C.

Manipulating the orientation of an organic adsorbate on silicon: a NEXAFS study of acetophenone on Si(0 0 1)

K. O'Donnell, A. Fahy, L. Thomsen, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Boron dichloride and its cation Geometries, vibrationalfrequencies, ionization energy and excitationenergies

Edmond P. F. Lee, T. G. Wright, O. Warschkow, 1997 .

The structure and chemistry of the TiO2-rich surface of SrTiO3 (001)

N. Erdman, L. Marks, K. Poeppelmeier, 2002, Nature.

Atomic-scale structure of the SrTiO3(001)-c(6×2) reconstruction: Experiments and first-principles calculations

N. Erdman, L. Marks, J. Zegenhagen, 2007, 0707.2561.

Surface structures of SrTiO3 (001): a TiO2-rich reconstruction with a c(4 x 2) unit cell.

N. Erdman, L. Marks, K. Poeppelmeier, 2003, Journal of the American Chemical Society.

Defect Structures of Tin‐Doped Indium Oxide

D. Ellis, T. Mason, O. Warschkow, 2003 .

Importance of charging in atomic resolution scanning tunneling microscopy:Study of a single phosphorus atom in a Si(001) surface

S. R. Schofield, D. Mckenzie, H. Wilson, 2006 .

Oxide–Oxide Interfaces: Atomistic and Density Functional Study of Cubic‐ZrO2 (100) ‖ NiO (111)

V. Dravid, E. Dickey, D. Ellis, 2001 .

Amorphous and crystalline phases in thermal quench simulations of alumina.

D. Mckenzie, M. Bilek, J. Rosen, 2007, The Journal of chemical physics.

Molecular dissociation of group-V hydrides on Si(001)

H. Wilson, N. Marks, M. Radny, 2005 .

Phosphine dissociation on the Si(001) surface.

S. R. Schofield, D R McKenzie, D. Mckenzie, 2004, Physical review letters.

Dimer pinning and the assignment of semiconductor-adsorbate surface structures.

S. R. Schofield, M. Radny, Phillip V. Smith, 2011, The Journal of chemical physics.

Carbonyl mediated attachment to silicon: acetaldehyde on Si(001)

S. R. Schofield, M. Radny, Phillip V. Smith, 2009 .

Single hydrogen atoms on the Si(001) surface

S. R. Schofield, D. Mckenzie, H. Wilson, 2007 .

Thermal dissociation and desorption of PH3 on Si(001): A reinterpretation of spectroscopic data

Michelle Y. Simmons, Neil J. Curson, Marian W. Radny, 2006 .

Phosphine dissociation and diffusion on Si(001) observed at the atomic scale.

S. R. Schofield, D. Mckenzie, H. Wilson, 2006, The journal of physical chemistry. B.

Atomic-scale observation and control of the reaction of phosphine with silicon

S. R. Schofield, D. Mckenzie, H. Wilson, 2006 .

Phosphine Adsorption and Dissociation on the Si(001) Surface: An Ab Initio Survey of Structures

Michelle Y. Simmons, Neil J. Curson, Marian W. Radny, 2005 .

Evolution of classical/quantum methodologies: applications to oxide surfaces and interfaces

Oliver Warschkow, D. Ellis, Donald E Ellis, 2003 .

Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models

B. Delley, D. Mckenzie, O. Warschkow, 2013 .

Benzene and Pyridine on Silicon (001): A Trial Ground for Long-Range Corrections in Density Functional Theory

D. Mckenzie, F. Rosei, J. Miwa, 2017 .

Electronic structure of two interacting phosphorus δ-doped layers in silicon

D. J. Carter, D. Mckenzie, N. Marks, 2013 .

Solution of the p(2 2) NiO(1 1 1) surface structure using direct methods

N. Erdman, L. Marks, D. Ellis, 2000 .

Phenyl Attachment to Si(001) via STM Manipulation of Acetophenone

S. R. Schofield, M. Radny, O. Warschkow, 2013 .

Reaction paths of phosphine dissociation on silicon (001).

S. R. Schofield, D. Mckenzie, H. Wilson, 2016, The Journal of chemical physics.

Bismuth trichloride as a molecular precursor for silicon doping

S. R. Schofield, N. Curson, O. Warschkow, 2023, Applied Physics Letters.

Doping and STM tip-induced changes to single dangling bonds on Si(001)

D. Mckenzie, T. Reusch, M. Simmons, 2007 .

Water-Induced, Spin-Dependent Defects on the Silicon (001) Surface

S. R. Schofield, M. Radny, Phillip V. Smith, 2015 .

Bottom-up assembly of metallic germanium

Michelle Y. Simmons, Nigel A. Marks, Damien J. Carter, 2015, Scientific Reports.

Valley splitting in a silicon quantum device platform.

D. J. Carter, M. Simmons, J. Miwa, 2014, Nano letters.

Atomic-Scale Patterning of Arsenic in Silicon by Scanning Tunneling Microscopy

S. R. Schofield, D. Mckenzie, S. Fearn, 2019, ACS nano.

Room Temperature Incorporation of Arsenic Atoms into the Germanium (001) Surface

S. R. Schofield, N. Curson, O. Warschkow, 2022, Angewandte Chemie.

Guided self-assembly of metal atoms on silicon using organic-molecule templating.

S. R. Schofield, M. Radny, Phillip V. Smith, 2012, Journal of the American Chemical Society.

Comment on ‘‘Transformation of C-type defects on Si(100)-2 x 1 surface at room temperature STM/STS study [Surf. Sci. 602 (2008) 2835]”

S. R. Schofield, D. Mckenzie, N. Marks, 2010 .

Reaction pathways for pyridine adsorption on silicon (0 0 1)

D. Mckenzie, F. Rosei, J. Miwa, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Direct observation of charge transfer at a MgO(111) surface.

L. Marks, D. Ellis, O. Warschkow, 2004, Physical review letters.

Determination of the preferred reaction pathway of acetophenone on Si(001) using photoelectron diffraction

S. R. Schofield, H. Hedgeland, A. Teplyakov, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Toward structure-function relations — A hybrid quantum/classical approach

D. Ellis, O. Warschkow, 2003 .

Raman spectra of partially oriented sp2 carbon films : Experimental and modelled

D. Mckenzie, O. Warschkow, R. Tarrant, 2006 .

Defect structure studies of bulk and nano-indium-tin oxide

J. Quintana, D. Ellis, T. Mason, 2004 .

Single P and As dopants in the Si(001) surface.

S. R. Schofield, D. Mckenzie, T. Reusch, 2007, The Journal of chemical physics.

Single Phosphorus Atoms in Si(001): Doping-Induced Charge Transfer into Isolated Si Dangling Bonds

D. Mckenzie, T. Reusch, M. Simmons, 2007 .

Interstitial Oxygen in Tin‐Doped Indium Oxide Transparent Conductors

D. Ellis, T. Mason, O. Warschkow, 2006 .

Defect Cluster Aggregation and Nonreducibility in Tin-Doped Indium Oxide

D. Ellis, T. Mason, O. Warschkow, 2003 .

E v olution of classical / quantum methodologies : applications to oxide surfaces and interfaces

D. Ellis, O. Warschkow, 2003 .

A single atom transistor

M. Y. Simmons, Sunhee Lee, H. Ryu, 2012, 2012 IEEE Silicon Nanoelectronics Workshop (SNW).

Electronic structure of amorphous indium oxide transparent conductors

J. Rosen, O. Warschkow, 2009 .

Structure and Local-Equilibrium Thermodynamics of the c 2 2 Reconstruction of Rutile TiO

L. Marks, M. Asta, O. Warschkow, 2008 .

Adsorption and Thermal Decomposition of Triphenyl Bismuth on Silicon (001).

S. R. Schofield, L. Thomsen, N. Curson, 2023, The journal of physical chemistry. C, Nanomaterials and interfaces.

Cu/ZnO(0001) under oxidating and reducing conditions: A first-principles survey of surface structures

B. Delley, C. Stampfl, Matthew Lyle, 2011 .

Reaction paths of phosphine dissociation on silicon (001).

S. R. Schofield, D. Mckenzie, H. Wilson, 2016, The Journal of chemical physics.