School of Chemistry
 

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David Andrew Duncan

Associate Professor, Faculty of Science

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Biography

David Andrew Duncan received a M.Sci in Chemical Physics from the University of Glasgow in 2008. He obtained his Ph.D. in Physics, under the supervision of Prof. D. Phil Woodruff, from the University of Warwick in 2012. His Ph.D. thesis, Adsorbate structure determination using energy scanned photoelectron diffraction was awarded the IOP's Thin Film and Surfaces Thesis Prize, the Woodruff Thesis Prize in the same year. After a brief postdoctoral appointment at Diamond Light Source, he began a postdoctoral fellowship at the Technical University of Munich, funded by an Alexander von Humboldt fellowship and, latterly, a Marie-Curie intra-European fellowship. In 2015 he was appointed as a beam line scientist, latterly senior beam line scientist (2018) at Diamond Light Source. In 2024 he moved to the University of Nottingham, where he is currently Associate Professor of Physical Chemistry in the School of Chemistry. His current research is based on quantitative structure determination of adsorbates on surfaces, with a focus in 2D materials and single atom catalysts.

Expertise Summary

Structure of single metal atoms on surfaces

Image Structure of single metal atoms on surfaces

Single atom catalysis is a promising method for, not only maximising the utilisation of often precious catalytically active material (e.g. Pt, Rh, Pd), but could also open up brand new avenues of chemistry. One particular single atom catalytic candidate is single adatoms on the (001) surface of magnetite. Since 2017 we have been studying the adsorption of metal adatoms on this surface, specifically confirming quantitatively, for the first time, the adsorption site of these adatoms bridging two surface oxygen atoms using normal incidence X-ray standing waves. We are currently in the process of studying the interaction of these adatoms, and this surface in general, with molecular adsorbates.

Controlled fabrication of defects in graphene-like films

Over the last thirty years we have improved our capability to fabricate ideal graphene over macroscopic scales, with recent reports of single domain growth up to 1 meter. However, graphene itself is chemically comparatively noble and has no band gap, limiting its scope of applications for catalytic, gas sensor and electronic applications. Inducing defects into graphene is one way to make it more chemically reactive for catalytic and gas sensor applications or to form a material with a band gap for electronic applications. However, many methods for creating these defects tend to be top down and result in poor controllability and reproducibility, as well as creating many different kinds of defects. Since 2021 we have been developing methods for chemical vapour deposition based growth of defective graphene-like films, where the type of defect created in the resulting film is chosen by careful selection of the precursor used. We have had significant success in inducing topological defects (defects where the C atoms are no longer in 6 membered rings), and are currently in the process of developing methods for growing graphene with heteroatom defects instead.

Surface functionalisation by molecular adsorption

Image Surface functionalisation by molecular adsorption

While much of the electronics industry is dominated by inorganic materials (e.g. silicon), molecular electronics, due to the immense breadth of carbon chemistry, have a promise to provide a range of functionality that is simply inconcievable with inorganic materials. Understanding how organic matter interacts with inorganic support materials on a fundamental level is key to rational development of future devices. The high precision quantitative information obtained from techniques like X-ray standing waves, photoelectron diffraction and surface X-ray diffraction can provide powerful benchmarking against theoretical calculations and can yield fundamental insight into the organic / inorganic interface.

Quantitative structure determination

X-ray standing waves (XSW), unique amongst the surface structure determination techniques, can be analysed by direct methods (not requiring lengthy trial and error process, like in quantitative low energy electron diffraction (LEED-IV), photoelectron diffraction and surface X-ray diffraction (SXRD)). Thus, the structural parameters obtained by XSW are a certain representation of the structure of the system you actually measured, it is not imagination limited where you must first imagine what the correct structure is, before you can say anything meaningful about it. Furthermore XSW can be acquired by monitoring photoelectron yield, which provides a chemical sensitivity to the technique. One can differentiate directly the structure of, for example C atoms bound to only other C atoms, or C atoms bound to O atoms, or even C atoms part of an alcohol group, or part of a carboxylate group. Thus, XSW is a powerful technique for studying the adsorption structure of molecules on surfaces, of 2D films on their growth substrates and of metal adatoms adsorbed on surfaces. However, a key cavaet of XSW is that it requires a nearly perfect crystalline substrate supporting the adsorbed material, from which one generates the X-ray standing wave. Thus it cannot be performed from powders, or foils and has specifically limited applications in layered and thin film materials.

Energy scanned photoelectron diffraction (PhD), while imagination limited, is a powerful technique for probing the local environment around an atom. Unlike, for example, LEED-IV or SXRD, it does not require that the adsorbed material is itself crystalline (i.e. has a clear well defined 2D repeating unit cell), but solely requires that the local environment around the probed atom is well defined (e.g. it is uniformly in a 3 fold coordination site, with its nearest neighbour atoms). As it is a photoelectron based technique, it yields chemical sensitivity allowing the structure of species in different chemical states (e.g. O atoms in molecular water, in a surface hydroxyl group or the bulk O atoms of an oxide sample) to be individually analysed.

Selected Publications

  • KLEIN, BENEDIKT P, STOODLEY, MATTHEW A, MORGAN, DYLAN B, ROCHFORD, LUKE A, WILLIAMS, LEON BS, RYAN, PAUL TP, SATTLER, LARS, WEBER, SEBASTIAN M, HILT, GERHARD and LIDDY, THOMAS J, 2024. Probing the role of surface termination in the adsorption of azupyrene on copper: Nanoscale Nanoscale. 16(11), 5802-5812
  • KLEIN, BENEDIKT P, STOODLEY, MATTHEW A, MORGAN, DYLAN B, ROCHFORD, LUKE A, WILLIAMS, LEON BS, RYAN, PAUL TP, SATTLER, LARS, WEBER, SEBASTIAN M, HILT, GERHARD and LIDDY, THOMAS J, 2024. Probing the role of surface termination in the adsorption of azupyrene on copper: Nanoscale Nanoscale. 16(11), 5802-5812
  • BAKLANOV, ALEKSANDR, KÜCHLE, JOHANNES T, DUNCAN, DAVID A, RYAN, PAUL TP, MAURER, REINHARD J, SCHWARZ, MARTIN, RASCON, EDUARDO CORRAL, PIQUERO-ZULAICA, IGNACIO, NGO, HUYNH THIEN and RISS, ALEXANDER, 2023. Zinc-Porphine on Coinage Metal Surfaces: Adsorption Configuration and Ligand-Induced Central Atom Displacement: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 127(15), 7501-7512
  • CHEN, YI-LING, NG, JESSICA SOO WEEI, OTTAKANDATHIL BABU, ROSANA, WOO, JEONGMIN, NAHLER, JANINA, HARDMAN, CLARE S, KURUPATI, PRATHIBA, NUSSBAUM, LEA, GAO, FEI and DONG, TAO, 2023. Group A Streptococcus induces CD1a-autoreactive T cells and promotes psoriatic inflammation: Science Immunology Science Immunology. 8(84), eadd9232
  • DING, PENGCHENG, BRAIM, MONA, HOBSON, AL, ROCHFORD, LA, RYAN, PTP, DUNCAN, DA, LEE, T-L, HUSSAIN, H, COSTANTINI, G and YU, MIAO, 2023. Does F4TCNQ Adsorption on Cu (111) Form a 2D-MOF?: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 127(42), 20903-20910
  • FRAMPTON, ELEANOR S, EDMONDSON, MATTHEW, JUDD, CHRIS J, DUNCAN, DAVID A, JONES, ROBERT G and SAYWELL, ALEX, 2023. Self-metalation of tetraphenyl porphyrin on Au (111): Structural characterisation via X-ray standing wave analysis: Inorganica Chimica Acta Inorganica Chimica Acta. 558, 121718
  • SOHAIL, B, BLOWEY, PJ, ROCHFORD, LA, RYAN, PTP, DUNCAN, DA, LEE, T-L, STARRS, P, COSTANTINI, G, WOODRUFF, DP and MAURER, RJ, 2023. Donor-acceptor co-adsorption ratio controls structure and electronic properties of two-dimensional alkali-organic networks on Ag (100): Journal of Physical Chemistry C Journal of Physical Chemistry C. 127(5), 2716
  • STOODLEY, MATTHEW A, KLEIN, BENEDIKT P, CLARKE, MICHAEL, WILLIAMS, LEON BS, ROCHFORD, LUKE A, FERRER, PILAR, GRINTER, DAVID C, SAYWELL, ALEX and DUNCAN, DAVID A, 2023. Adsorption structure of iron phthalocyanine and titanyl phthalocyanine on Cu (1 1 1): Inorganica Chimica Acta Inorganica Chimica Acta. 557, 121679
  • KASTORP, CLAUS FP, DUNCAN, DAVID A, JØRGENSEN, ANDERS L, SCHEFFLER, MARTHA, THROWER, JOHN D, LEE, TIEN-LIN, HORNEKÆR, LIV and BALOG, RICHARD, 2022. Selective hydrogenation of graphene on Ir (111): an X-ray standing wave study: Faraday Discussions Faraday Discussions. 236, 178-190
  • GROSSMANN, LUKAS, DUNCAN, DAVID A, JARVIS, SAMUEL P, JONES, ROBERT G, DE, SOUMEN, ROSEN, JOHANNA, SCHMITTEL, MICHAEL, HECKL, WOLFGANG M, BJÖRK, JONAS and LACKINGER, MARKUS, 2022. Evolution of adsorption heights in the on-surface synthesis and decoupling of covalent organic networks on Ag (111) by normal-incidence X-ray standing wave: Nanoscale Horizons Nanoscale Horizons. 7, 51-62
  • KLEIN, BENEDIKT P, STOODLEY, MATTHEW A, EDMONDSON, MATTHEW, ROCHFORD, LUKE A, WALKER, MARC, SATTLER, LARS, WEBER, SEBASTIAN M, HILT, GERHARD, WILLIAMS, LEON BS and LEE, TIEN-LIN, 2022. Using polycyclic aromatic hydrocarbons for graphene growth on Cu (111) under ultra-high vacuum: Applied Physics Letters Applied Physics Letters. 121(19), 191603
  • KNECHT, PETER, MEIER, DENNIS, REICHERT, JOACHIM, DUNCAN, DAVID A, SCHWARZ, MARTIN, KÜCHLE, JOHANNES T, LEE, TIEN‐LIN, DEIMEL, PETER S, FEULNER, PETER and ALLEGRETTI, FRANCESCO, 2022. N‐Heterocyclic Carbenes: Molecular Porters of Surface Mounted Ru‐Porphyrins: Angewandte Chemie International Edition Angewandte Chemie International Edition. 61(49), e202211877
  • KOTANIDIS, CHRISTOS P, XIE, CHENG, ALEXANDER, DONNA, RODRIGUES, JONATHAN CL, BURNHAM, KATIE, MENTZER, ALEXANDER, O’CONNOR, DANIEL, KNIGHT, JULIAN, SIDDIQUE, MUHAMMAD and LOCKSTONE, HELEN, 2022. Constructing custom-made radiotranscriptomic signatures of vascular inflammation from routine CT angiograms: a prospective outcomes validation study in COVID-19: The Lancet Digital Health The Lancet Digital Health. 4(10), e705-e716
  • RYAN, PAUL, BLOWEY, PHILIP JAMES, SOHAIL, BILLAL S, ROCHFORD, LUKE A, DUNCAN, DAVID A, LEE, TIEN-LIN, STARRS, PETER, COSTANTINI, GIOVANNI, MAURER, REINHARD J and WOODRUFF, DAVID PHILLIP, 2022. Thermodynamic Driving Forces for Substrate Atom Extraction by Adsorption of Strong Electron Acceptor Molecules: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 126(13), 6082-6090
  • KÜCHLE, JOHANNES T, BAKLANOV, ALEKSANDR, SEITSONEN, ARI P, RYAN, PAUL TP, FEULNER, PETER, PENDEM, PRASHANTH, LEE, TIEN-LIN, MUNTWILER, MATTHIAS, SCHWARZ, MARTIN and HAAG, FELIX, 2022. Silicene’s pervasive surface alloy on Ag (111): a scaffold for two-dimensional growth: 2D Materials 2D Materials. 9(4), 045021
  • SILVA, CAIO C, DOMBROWSKI, DANIELA, ATODIRESEI, NICOLAE, JOLIE, WOUTER, ZUM HAGEN, FERDINAND FARWICK, CAI, JIAQI, RYAN, PAUL TP, THAKUR, PARDEEP K, CACIUC, VASILE and BLÜGEL, STEFAN, 2022. Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS2 on Au (111): 2D Materials 2D Materials. 9(2), 025003
  • MOUSLEY, PHILIP J, ROCHFORD, LUKE A, RYAN, PAUL TP, BLOWEY, PHILIP, LAWRENCE, JAMES, DUNCAN, DAVID A, HUSSAIN, HADEEL, SOHAIL, BILLAL, LEE, TIEN-LIN and BELL, GAVIN R, 2022. Direct experimental evidence for substrate adatom incorporation into a molecular overlayer: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 126(16), 7346-7355
  • RYAN, PTP, PAYNE, DJ, LEE, T-L and DUNCAN, DA, 2022. Quantitative structure determination of adsorbed formate and surface hydroxyls on Fe 3 O 4 (001): Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 24, 488-496
  • AHERN, DAVID J, AI, ZHICHAO, AINSWORTH, MARK, ALLAN, CHRIS, ALLCOCK, ALICE, ANSARI, AZIM, ARANCIBIA-CARCAMO, CAROLINA V, ASCHENBRENNER, DOMINIK, ATTAR, MOUSTAFA and BAILLIE, J KENNETH, 2021. A blood atlas of COVID-19 defines hallmarks of disease severity and specificity: Cell Cell. 185(5), 916-938.e58
  • DUNCAN, DAVID A, BLOWEY, PHILIP J, LEE, TIEN-LIN, ALLEGRETTI, FRANCESCO, NIELSEN, CHRISTIAN B and ROCHFORD, LUKE A, 2021. Quantitative Insights into the Adsorption Structure of Diindeno [1, 2-a; 1′, 2′-c] fluorene-5, 10, 15-trione (Truxenone) on a Cu (111) Surface Using X-ray Standing Waves: ACS Omega ACS Omega. 6, 34525-34531
  • JARVIS, SAMUEL P, SANG, HONGQIAN, JUNQUEIRA, FILIPE, GORDON, OLIVER, HODGKINSON, JO EA, SAYWELL, ALEX, RAHE, PHILIPP, MAMONE, SALVATORE, TAYLOR, SIMON and SWEETMAN, ADAM, 2021. Chemical shielding of H2O and HF encapsulated inside a C60 cage: Communications Chemistry Communications Chemistry. 4(1), 135
  • KNECHT, PETER, REICHERT, JOACHIM, DEIMEL, PETER S, FEULNER, PETER, HAAG, FELIX, ALLEGRETTI, FRANCESCO, GARNICA, MANUELA, SCHWARZ, MARTIN, AUWÄRTER, WILLI and RYAN, PAUL TP, 2021. Conformational control of chemical reactivity for surface‐confined Ru‐porphyrins: Angewandte Chemie Angewandte Chemie. 133(30), 16697
  • KNECHT, PETER, RYAN, PAUL TP, DUNCAN, DAVID A, JIANG, LI, REICHERT, JOACHIM, DEIMEL, PETER S, HAAG, FELIX, KÜCHLE, JOHANNES T, ALLEGRETTI, FRANCESCO and LEE, TIEN-LIN, 2021. Tunable Interface of Ruthenium Porphyrins and Silver: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 125(5), 3215-3224
  • YOUNGS, JONATHAN, PROVINE, NICHOLAS M, LIM, NICHOLAS, SHARPE, HANNAH R, AMINI, ALI, CHEN, YI-LING, LUO, JIAN, EDMANS, MATTHEW D, ZACHAROPOULOU, PANAGIOTA and CHEN, WENTAO, 2021. Identification of immune correlates of fatal outcomes in critically ill COVID-19 patients: PLoS Pathogens PLoS Pathogens. 17(9), e1009804
  • SILVA, CAIO C, DOMBROWSKI, DANIELA, SAMAD, ABDUS, CAI, JIAQI, JOLIE, WOUTER, HALL, JOSHUA, RYAN, PAUL TP, THAKUR, PARDEEP K, DUNCAN, DAVID A and LEE, TIEN-LIN, 2021. Structure of monolayer 2 H− TaS 2 on Au (111): Physical Review B Physical Review B. 104(20), 205414
  • SEYMOUR, JAKE M, GOUSSEVA, EKATERINA, LARGE, ALEXANDER I, CLARKE, COBY J, LICENCE, PETER, FOGARTY, RICHARD M, DUNCAN, DAVID A, FERRER, PILAR, VENTURINI, FEDERICA and BENNETT, ROGER A, 2021. Experimental measurement and prediction of ionic liquid ionisation energies: Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 23(37), 20957-20973
  • LALAGUNA, PAULA L, HEDGELAND, HOLLY, RYAN, PAUL TP, WARSCHKOW, OLIVER, MUNTWILER, MATTHIAS K, TEPLYAKOV, ANDREW V, SCHOFIELD, STEVEN R and DUNCAN, DAVID A, 2021. Determination of the preferred reaction pathway of acetophenone on Si (001) using photoelectron diffraction: Journal of Physics: Condensed Matter Journal of Physics: Condensed Matter. 33(21), 214002
  • LUO, JIAN, CHEN, YI-LING, CHEN, WENTAO, DUNCAN, DAVID A, MENTZER, ALEXANDER, KNIGHT, JULIAN C, OGG, GRAHAM, KLENERMAN, PAUL, PAVORD, IAN D and XUE, LUZHENG, 2021. Pre-existing asthma as a comorbidity does not modify cytokine responses and severity of COVID-19: Allergy, Asthma & Clinical Immunology Allergy, Asthma & Clinical Immunology. 17(1), 1-12
  • KNECHT, PETER, ZHANG, BODONG, REICHERT, JOACHIM, DUNCAN, DAVID A, SCHWARZ, MARTIN, HAAG, FELIX, RYAN, PAUL TP, LEE, TIEN-LIN, DEIMEL, PETER S and FEULNER, PETER, 2021. Assembly and Manipulation of a Prototypical N-Heterocyclic Carbene with a Metalloporphyrin Pedestal on a Solid Surface: Journal of the American Chemical Society Journal of the American Chemical Society. 143(11), 4433-4439
  • BLOWEY, PJ, ROCHFORD, LA, DUNCAN, DA, RYAN, PTP, WARR, DA, LEE, T-L, COSTANTINI, G and WOODRUFF, DP, 2020. The structure of 2D charge transfer salts formed by TCNQ/alkali metal coadsorption on Ag (111): Surface Science Surface Science. 701, 121687
  • BLOWEY, PHIL J, SOHAIL, BILLAL, ROCHFORD, LUKE A, LAFOSSE, TIMOTHY, DUNCAN, DAVID A, RYAN, PAUL TP, WARR, DANIEL ANDREW, LEE, TIEN-LIN, COSTANTINI, GIOVANNI and MAURER, REINHARD J, 2020. Alkali doping leads to charge-transfer salt formation in a two-dimensional metal–organic framework: ACS nano ACS Nano. 14(6), 7475-7483
  • HAAGS, ANJA, ROCHFORD, LUKE A, FELTER, JANINA, BLOWEY, PHIL J, DUNCAN, DAVID A, WOODRUFF, D PHIL and KUMPF, CHRISTIAN, 2020. Growth and evolution of tetracyanoquinodimethane and potassium coadsorption phases on Ag (111): New Journal of Physics New Journal of Physics. 22(6), 063028
  • JAKUB, ZDENEK, HULVA, JAN, RYAN, PAUL TP, DUNCAN, DAVID A, PAYNE, DAVID J, BLIEM, ROLAND, ULREICH, MANUEL, HOFEGGER, PATRICK, KRAUSHOFER, FLORIAN and MEIER, MATTHIAS, 2020. Adsorbate-induced structural evolution changes the mechanism of CO oxidation on a Rh/Fe 3 O 4 (001) model catalyst: Nanoscale Nanoscale. 12(10), 5866-5875
  • DEIMEL, PETER SEBASTIAN, AGUILAR, PABLO CASADO, PASZKIEWICZ, MATEUSZ, DUNCAN, DAVID ANDREW, BARTH, JOHANNES, KLAPPENBERGER, FLORIAN, SCHÖFBERGER, WOLFGANG and ALLEGRETTI, FRANCESCO, 2020. Stabilisation of tri-valent ions with vacant coordination site at a corrole-metal interface: Chemical Communications Chemical Communications.
  • KASTORP, CLAUS FP, DUNCAN, DAVID A, SCHEFFLER, MARTHA, THROWER, JOHN D, JØRGENSEN, ANDERS L, HUSSAIN, HADEEL, LEE, TIEN-LIN, HORNEKÆR, LIV and BALOG, RICHARD, 2020. Growth and electronic properties of bi-and trilayer graphene on Ir (111): Nanoscale Nanoscale. 12(38), 19776-19786
  • NIEDERHAUSEN, JENS, FRANCO-CAÑELLAS, ANTONI, ERKER, SIMON, SCHULTZ, THORSTEN, BROCH, KATHARINA, HINDERHOFER, ALEXANDER, DUHM, STEFFEN, THAKUR, PARDEEP K, DUNCAN, DAVID A and GERLACH, ALEXANDER, 2020. X-ray standing waves reveal lack of OH termination at hydroxylated ZnO (0001) surfaces: Physical Review Materials Physical Review Materials. 4(2), 020602
  • JUDD, CHRIS J, JUNQUEIRA, FILIPE LQ, HADDOW, SARAH L, CHAMPNESS, NEIL R, DUNCAN, DAVID A, JONES, ROBERT G and SAYWELL, ALEX, 2020. Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction: Communications Chemistry Communications Chemistry. 3(1), 166
  • WANG, ZISHU, QIAN, KAI, ÖNER, MURAT ANIL, DEIMEL, PETER S, WANG, YAN, ZHANG, SHUAI, ZHANG, XIAOXI, GUPTA, VISHAL, LI, JUAN and GAO, HONG-JUN, 2020. Layer-by-Layer Epitaxy of Porphyrin− Ligand Fe (II)-Fe (III) Nanoarchitectures for Advanced Metal–Organic Framework Growth: ACS Applied Nano Materials ACS Applied Nano Materials. 3(12), 11752-11759
  • SWALLOW, JACK EN, WILLIAMSON, BENJAMIN AD, SATHASIVAM, SANJAYAN, BIRKETT, MAX, FEATHERSTONE, THOMAS J, MURGATROYD, PHILIP AE, EDWARDS, HOLLY J, LEBENS-HIGGINS, ZACHARY W, DUNCAN, DAVID A and FARNWORTH, MARK, 2020. Resonant doping for high mobility transparent conductors: the case of Mo-doped In 2 O 3: Materials Horizons Materials Horizons. 7(1), 236-243
  • RYAN, PTP, MEIER, M, JAKUB, Z, BALAJKA, J, HULVA, J, PAYNE, DJ, LEE, T-L, FRANCHINI, C, ALLEGRETTI, F and PARKINSON, GS, 2020. Probing structural changes upon carbon monoxide coordination to single metal adatoms: The Journal of Chemical Physics The Journal of Chemical Physics. 152(5),
  • RYAN, PTP, LALAGUNA, PL, HAAG, F, BRAIM, MM, DING, P, PAYNE, DJ, BARTH, JV, LEE, T-L, WOODRUFF, DP and ALLEGRETTI, F, 2020. Validation of the inverted adsorption structure for free-base tetraphenyl porphyrin on Cu (111): Chemical Communications Chemical Communications. 56(25), 3681-3684
  • WOODRUFF, DAVID PHIL and DUNCAN, DAVID ANDREW, 2020. X-ray standing wave studies of molecular adsorption: why coherent fractions matter: New Journal of Physics New Journal of Physics. 22(11), 113012
  • DUNCAN, DAVID A, ATODIRESEI, NICOLAE, LISI, SIMONE, BLOWEY, PHIL J, CACIUC, VASILE, LAWRENCE, JAMES, LEE, TIEN-LIN, BETTI, MARIA GRAZIA, THAKUR, PARDEEP KUMAR and DELLA PIA, ADA, 2019. Corrugated graphene exposes the limits of a widely used ab initio van der Waals DFT functional: Physical Review Materials Physical Review Materials. 3(12), 124001
  • DUNCAN, DA, AGUILAR, P CASADO, PASZKIEWICZ, M, DILLER, K, BONDINO, F, MAGNANO, E, KLAPPENBERGER, F, PÍŠ, I, RUBIO, A and BARTH, JV, 2019. Local adsorption structure and bonding of porphine on Cu (111) before and after self-metalation: The Journal of Chemical Physics The Journal of Chemical Physics. 150(9), 094702
  • BLOWEY, PJ, HAAGS, A, ROCHFORD, LA, FELTER, J, WARR, DA, DUNCAN, DA, LEE, T-L, COSTANTINI, G, KUMPF, C and WOODRUFF, DP, 2019. Characterization of growth and structure of TCNQ phases on Ag (111): Physical Review Materials Physical Review Materials. 3(11), 116001
  • FRITTON, MASSIMO, DUNCAN, DAVID A, DEIMEL, PETER S, RASTGOO-LAHROOD, ATENA, ALLEGRETTI, FRANCESCO, BARTH, JOHANNES V, HECKL, WOLFGANG M, BJÖRK, JONAS and LACKINGER, MARKUS, 2019. The Role of Kinetics versus Thermodynamics in Surface-Assisted Ullmann Coupling on Gold and Silver Surfaces: Journal of the American Chemical Society Journal of the American Chemical Society. 141(12), 4824-4832
  • DUNCAN, DAVID A, DEIMEL, PETER S, WIENGARTEN, ALISSA, PASZKIEWICZ, MATEUSZ, CASADO AGUILAR, P, ACRES, ROBERT G, KLAPPENBERGER, FLORIAN, AUWÄRTER, W, SEITSONEN, ARI PAAVO and BARTH, JOHANNES V, 2019. Bottom-Up Fabrication of a Metal-Supported Oxo–Metal Porphyrin: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 123(51), 31011-31025
  • CHEN, YI-LING, GOMES, TOMAS, HARDMAN, CLARE S, VIEIRA BRAGA, FELIPE A, GUTOWSKA-OWSIAK, DANUTA, SALIMI, MARYAM, GRAY, NICKI, DUNCAN, DAVID A, REYNOLDS, GARY and JOHNSON, DAVID, 2019. Re-evaluation of human BDCA-2+ DC during acute sterile skin inflammation: Journal of Experimental Medicine Journal of Experimental Medicine. 217(3), e20190811
  • GATTINONI, CHIARA, TSAOUSIS, PANAYIOTIS, EUARUKSAKUL, CHANAN, PRICE, RACHEL, DUNCAN, DAVID A, PASCAL, TOD, PRENDERGAST, DAVID, HELD, GEORG and MICHAELIDES, ANGELOS, 2019. Adsorption behavior of organic molecules: a study of benzotriazole on Cu (111) with spectroscopic and theoretical methods: Langmuir Langmuir. 35(4), 882-893
  • JØRGENSEN, ANDERS VESTERGAARD, DUNCAN, DAVID ANDREW, KASTORP, CLAUS, KYHL, LINE, TANG, ZEYUAN, BRUIX, ALBERT, ANDERSEN, MIE, HAMMER, BJORK, LEE, TIEN-LIN and HORNEKAER, LIV, 2019. Chemically-resolved determination of hydrogenated graphene-substrate interaction: Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 21, 13462-13466
  • SOLOKHA, VLADYSLAV, GARAI, DEBI, WILSON, AXEL, DUNCAN, DAVID A, THAKUR, PARDEEP K, HINGERL, KURT and ZEGENHAGEN, JÖRG, 2019. Water Splitting on Ti-Oxide Terminated SrTiO3 (001): The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 123(28), 17232-17238
  • BLOWEY, PJ, MAURER, RJ, ROCHFORD, LA, DUNCAN, DA, KANG, J-H, WARR, DA, RAMADAN, AJ, LEE, T-L, THAKUR, PK and COSTANTINI, G, 2018. The Structure of VOPc on Cu (111): Does V═ O Point Up, or Down, or Both?: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 123(13), 8101-8111
  • LEE, TIEN-LIN and DUNCAN, DAVID A, 2018. A Two-Color Beamline for Electron Spectroscopies at Diamond Light Source: Synchrotron Radiation News Synchrotron Radiation News. 31(4), 16-22
  • DUNCAN, DA, 2018. Synchrotron-based Spectroscopy In On-Surface Polymerization of Covalent Networks
  • MEIER, MATTHIAS, JAKUB, ZDENĚK, BALAJKA, JAN, HULVA, JAN, BLIEM, ROLAND, THAKUR, PARDEEP K, LEE, TIEN-LIN, FRANCHINI, CESARE, SCHMID, MICHAEL and DIEBOLD, ULRIKE, 2018. Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory: Nanoscale Nanoscale. 10(5), 2226-2230
  • OH, SEUNG CHEOL, LLOYD, JULIAN A, FISCHER, SYBILLE, SAǦLAM, ÖZGE, PAPAGEORGIOU, ANTHOULA C, DILLER, KATHARINA, DUNCAN, DAVID A, KLAPPENBERGER, FLORIAN, ALLEGRETTI, FRANCESCO and REICHERT, JOACHIM, 2018. Isomerism control of diethylstilbestrol by metal surface induced O–H cleavage: Chemical Communications Chemical Communications. 54(88), 12495-12498
  • RYAN, PTP, JAKUB, Z, BALAJKA, J, HULVA, J, MEIER, M, KÜCHLE, JT, BLOWEY, PJ, THAKUR, P KUMAR, FRANCHINI, C and PAYNE, DJ, 2018. Direct measurement of Ni incorporation into Fe 3 O 4 (001): Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 20, 16469
  • SCHWARZ, MARTIN, GARNICA, MANUELA, DUNCAN, DAVID A, PEREZ PAZ, ALEJANDRO, DUCKE, JACOB, DEIMEL, PETER S, THAKUR, PARDEEP K, LEE, TIEN-LIN, RUBIO, ANGEL and BARTH, JOHANNES V, 2018. Adsorption Conformation and Lateral Registry of Cobalt Porphine on Cu (111): The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 122(10), 5452-5461
  • SILVA, CAIO C, IANNUZZI, MARCELLA, DUNCAN, DAVID A, RYAN, PAUL TP, CLARKE, KATHERINE T, KÜCHLE, JOHANNES T, CAI, JIAQI, JOLIE, WOUTER, SCHLUETER, CHRISTOPH and LEE, TIEN-LIN, 2018. Valleys and Hills of Graphene on Ru (0001): The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 122(32), 18554-18561
  • VAN STRAATEN, GERBEN, FRANKE, MARKUS, SOUBATCH, SERGUEI, STADTMÜLLER, BENJAMIN, DUNCAN, DAVID A, LEE, TIEN-LIN, TAUTZ, F STEFAN and KUMPF, CHRISTIAN, 2018. Role of the Central Metal Atom in Substrate-Mediated Molecular Interactions in Phthalocyanine-Based Heteromolecular Monolayers: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 122(15), 8491-8504
  • SCHWARZ, MARTIN, DUNCAN, DAVID A, GARNICA, MANUELA, DUCKE, JACOB, DEIMEL, PETER S, THAKUR, PARDEEP K, LEE, TIEN-LIN, ALLEGRETTI, FRANCESCO and AUWÄRTER, WILLI, 2018. Quantitative determination of a model organic/insulator/metal interface structure: Nanoscale Nanoscale. 10(46), 21971-21977
  • WHITE, TW, DUNCAN, DA, FORTUNA, S, WANG, Y-L, MORETON, B, LEE, T-L, BLOWEY, P, COSTANTINI, G and WOODRUFF, DP, 2018. A structural investigation of the interaction of oxalic acid with Cu (110): Surface Science Surface Science. 668, 134-143
  • BLOWEY, PJ, VELARI, S, ROCHFORD, LA, DUNCAN, DA, WARR, DA, LEE, T-L, DE VITA, A, COSTANTINI, G and WOODRUFF, DP, 2018. Re-evaluating how charge transfer modifies the conformation of adsorbed molecules: Nanoscale Nanoscale. 10(31), 14984-14992
  • BLOWEY, PHIL J, ROCHFORD, LUKE A, DUNCAN, DAVID ANDREW, WARR, DA, LEE, T-L, WOODRUFF, DP and COSTANTINI, GIOVANNI, 2017. Probing the interplay between geometric and electronic structure in a two-dimensional K–TCNQ charge transfer network: Faraday Discussions Faraday Discussions. 204, 97-110
  • FRANCO-CAÑELLAS, ANTONI, WANG, QI, BROCH, KATHARINA, DUNCAN, DAVID A, THAKUR, PARDEEP KUMAR, LIU, LIJIA, KERA, SATOSHI, GERLACH, ALEXANDER, DUHM, STEFFEN and SCHREIBER, FRANK, 2017. Metal-organic interface functionalization via acceptor end groups: PTCDI on coinage metals: Physical Review Materials Physical Review Materials. 1(1), 013001
  • SCHWARZ, MARTIN, RISS, ALEXANDER, GARNICA, MANUELA, DUCKE, JACOB, DEIMEL, PETER S, DUNCAN, DAVID A, THAKUR, PARDEEP KUMAR, LEE, TIEN-LIN, SEITSONEN, ARI PAAVO and BARTH, JOHANNES V, 2017. Corrugation in the Weakly Interacting Hexagonal-BN/Cu (111) System: Structure Determination by Combining Noncontact Atomic Force Microscopy and X-ray Standing Waves: ACS nano ACS Nano. 11(9), 9151-9161
  • TEBI, STEFANO, PASZKIEWICZ, MATEUSZ, ALDAHHAK, HAZEM, ALLEGRETTI, FRANCESCO, GONGLACH, SABRINA, HAAS, MICHAEL, WASER, MARIO, DEIMEL, PETER S, AGUILAR, PABLO CASADO and ZHANG, YI-QI, 2017. On-Surface Site-Selective Cyclization of Corrole Radicals: ACS nano ACS Nano. 11(3), 3383-3391
  • ALDAHHAK, HAZEM, PASZKIEWICZ, MATEUSZ, ALLEGRETTI, FRANCESCO, DUNCAN, DAVID ANDREW, TEBI, STEFANO, DEIMEL, PETER S, CASADO AGUILAR, PABLO, ZHANG, YIQI, PAPAGEORGIOU, ANTHOULA C and KOCH, REINHOLD, 2017. X-ray Spectroscopy of Thin Film Free-base Corroles–a Combined Theoretical and Experimental Characterization: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 121(4), 2192-2200
  • DEIMEL, PETER S, BABABRIK, REDA M, WANG, BIN, BLOWEY, PHIL J, ROCHFORD, LUKE A, THAKUR, PARDEEP K, LEE, TIEN-LIN, BOCQUET, MARIE-LAURE, BARTH, JOHANNES V and WOODRUFF, D PHIL, 2016. Direct quantitative identification of the “surface trans-effect”: Chemical Science Chemical Science. 7(9), 5647-5656
  • DUNCAN, DA, PFISTERER, JHK, DEIMEL, PS, ACRES, RG, FRITTON, M, FEULNER, P, BARTH, JV and ALLEGRETTI, F, 2016. Formation of a thermally stable bilayer of coadsorbed intact and deprotonated thymine exploiting the surface corrugation of rutile TiO 2 (110): Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 18(30), 20433-20442
  • BUSAYAPORN, WUTTHIKRAI, DUNCAN, DAVID ANDREW, ALLEGRETTI, FRANCESCO, WANDER, ADRIAN, BECH, MARTIN, MØLLER, PREBEN JUUL, DOYLE, BRYAN P, HARRISON, NICHOLAS M, THORNTON, GEOFF and LINDSAY, ROBERT, 2016. Structure of a model dye/titania interface: Geometry of benzoate on rutile-TiO2 (110)(1× 1): The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 120(27), 14690-14698
  • HAN, R, BLOBNER, F, BAUER, J, DUNCAN, DA, BARTH, JV, FEULNER, P and ALLEGRETTI, F, 2016. Toward interfacing organic semiconductors with ferromagnetic transition metal substrates: enhanced stability via carboxylate anchoring: Chemical Communications Chemical Communications. 52(63), 9805-9808
  • JIANG, LI, PAPAGEORGIOU, ANTHOULA C, OH, SEUNG CHEOL, SAĞLAM, ÖZGE, REICHERT, JOACHIM, DUNCAN, DAVID A, ZHANG, YI-QI, KLAPPENBERGER, FLORIAN, GUO, YUANYUAN and ALLEGRETTI, FRANCESCO, 2016. Synthesis of pyrene-fused pyrazaacenes on metal surfaces: toward one-dimensional conjugated nanostructures: ACS nano ACS Nano. 10(1), 1033-1041
  • LLOYD, JULIAN A, PAPAGEORGIOU, ANTHOULA C, FISCHER, SYBILLE, OH, SEUNG CHEOL, SAGLAM, OZGE, DILLER, KATHARINA, DUNCAN, DAVID A, ALLEGRETTI, FRANCESCO, KLAPPENBERGER, FLORIAN and STÖHR, MARTIN, 2016. Dynamics of spatially confined bisphenol a trimers in a unimolecular network on Ag (111): Nano letters Nano letters. 16(3), 1884-1889
  • BLOBNER, F, ABUFAGER, PN, HAN, R, BAUER, J, DUNCAN, DA, MAURER, RJ, REUTER, K, FEULNER, P and ALLEGRETTI, F, 2015. Thiolate-Bonded Self-Assembled Monolayers on Ni (111): Bonding Strength, Structure, and Stability: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 119(27), 15455-15468
  • DUNCAN, DAVID A, DEIMEL, PETER S, WIENGARTEN, ALISSA, HAN, RUNYUAN, ACRES, ROBERT G, AUWÄRTER, WILLI, FEULNER, PETER, PAPAGEORGIOU, ANTHOULA C, ALLEGRETTI, FRANCESCO and BARTH, JOHANNES V, 2015. Immobilised molecular catalysts and the role of the supporting metal substrate: Chemical Communications Chemical Communications. 51(46), 9483-9486
  • WIENGARTEN, ALISSA, LLOYD, JULIAN A, SEUFERT, KNUD, REICHERT, JOACHIM, AUWÄRTER, WILLI, HAN, RUNYUAN, DUNCAN, DAVID A, ALLEGRETTI, FRANCESCO, FISCHER, SYBILLE and OH, SEUNG CHEOL, 2015. Surface‐Assisted Cyclodehydrogenation; Break the Symmetry, Enhance the Selectivity: Chemistry-A European Journal Chemistry-A European Journal. 21(35), 12285-12290
  • WIENGARTEN, ALISSA, SEUFERT, KNUD, AUWÄRTER, WILLI, ECIJA, DAVID, DILLER, KATHARINA, ALLEGRETTI, FRANCESCO, BISCHOFF, FELIX, FISCHER, SYBILLE, DUNCAN, DAVID A and PAPAGEORGIOU, ANTHOULA C, 2014. Surface-assisted Dehydrogenative Homocoupling of Porphine Molecules: Journal of the American Chemical Society Journal of the American Chemical Society. 136(26), 9346-9354
  • DILLER, KATHARINA, KLAPPENBERGER, FLORIAN, ALLEGRETTI, FRANCESCO, PAPAGEORGIOU, ANTHOULA C, FISCHER, SYBILLE, DUNCAN, DAVID A, MAURER, REINHARD J, LLOYD, JULIAN A, OH, SEUNG CHEOL and REUTER, KARSTEN, 2014. Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver: Journal of Chemical Physics Journal of Chemical Physics. 141, 144703
  • DUNCAN, DAVID A, KREIKEMEYER-LORENZO, DAGMAR, PRIMORAC, ELENA, KARSLIOĞLU, O, NASCHITZKI, MATTHIAS, UNTERBERGER, WERNER, KUHLENBECK, HELMUT and WOODRUFF, DP, 2014. V-doped TiO 2 (110): Quantitative structure determination using energy scanned photoelectron diffraction: Surface Science Surface Science. 630, 64-70
  • KREIKEMEYER-LORENZO, DAGMAR, UNTERBERGER, WERNER, DUNCAN, DAVID A, LEROTHOLI, TJ and WOODRUFF, DP, 2013. The local structure of the azobenzene/aniline reaction intermediate on TiO 2 (110): Surface Science Surface Science. 613, 40-47
  • BISCHOFF, FELIX, SEUFERT, KNUD, AUWÄRTER, WILLI, JOSHI, SUSHOBHAN, VIJAYARAGHAVAN, SARANYAN, ÉCIJA, DAVID, DILLER, KATHARINA, PAPAGEORGIOU, ANTHOULA C, FISCHER, SYBILLE and ALLEGRETTI, FRANCESCO, 2013. How Surface Bonding and Repulsive Interactions Cause Phase Transformations: Ordering of a Prototype Macrocyclic Compound on Ag (111): ACS Nano ACS Nano. 7, 3139
  • KREIKEMEYER-LORENZO, D, UNTERBERGER, W, BLUME, R, HÄVECKER, M, ROCHA, TCR, KNOP-GERICKE, A, SCHLÖGL, R, LEROTHOLI, TJ, DUNCAN, DA and WOODRUFF, DP, 2013. Quantitative adsorbate structure determination under catalytic reaction conditions: Physical Review B Physical Review B. 87(12), 125420
  • DUNCAN, DA, CHOI, JIJ and WOODRUFF, DP, 2012. Global search algorithms in surface structure determination using photoelectron diffraction: Surface Science Surface Science. 606(3-4), 278-284
  • DUNCAN, DAVID A, ALLEGRETTI, FRANCESCO and WOODRUFF, DP, 2012. Water does partially dissociate on the perfect TiO 2 (110) surface: A quantitative structure determination: Physical Review B Physical Review B. 86(4), 045411
  • DUNCAN, DAVID A, UNTERBERGER, WERNER, KREIKEMEYER-LORENZO, DAGMAR and WOODRUFF, DAVID PHILLIP, 2012. Does methanol produce a stable methoxy species on Ru (0001) at low temperatures?: Surface science Surface Science. 606(15-16), 1298-1302
  • DUNCAN, DA, UNTERBERGER, WERNER, JACKSON, DC, KNIGHT, MK, KRÖGER, EMILY ALICE, HOGAN, KA, LAMONT, CLA, LEROTHOLI, TJ and WOODRUFF, DAVID PHILLIP, 2012. Quantitative local structure determination of R, R-tartaric acid on Cu (110): Monotartrate and bitartrate phases: Surface science Surface Science. 606(17-18), 1435-1442
  • DUNCAN, DA, BRADLEY, MK, UNTERBERGER, WERNER, KREIKEMEYER-LORENZO, DAGMAR, LEROTHOLI, TJ, ROBINSON, J and WOODRUFF, DP, 2012. Deprotonated Glycine on Cu (111): Quantitative Structure Determination by Energy-Scanned Photoelectron Diffraction: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 116(18), 9985-9995
  • DUNCAN, DAVID A, UNTERBERGER, WERNER, KREIKEMEYER-LORENZO, DAGMAR and WOODRUFF, DAVID PHILLIP, 2011. Uracil on Cu (110): A quantitative structure determination by energy-scanned photoelectron diffraction: The Journal of chemical physics The Journal of Chemical Physics. 135(1),
  • UNTERBERGER, WERNER, LEROTHOLI, TJ, KRÖGER, EA, KNIGHT, MJ, DUNCAN, DAVID A, KREIKEMEYER-LORENZO, D, HOGAN, KA, JACKSON, DC, WŁODARCZYK, R and SIERKA, M, 2011. Local hydroxyl adsorption geometry on TiO 2 (110): Physical Review B Physical Review B. 84(11), 115461
  • BRADLEY, MATTHEW K, DUNCAN, DAVID A, ROBINSON, JIM and WOODRUFF, DP, 2011. The structure of furan reaction products on Pd (111): Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 13(17), 7975-7984
  • LORENZO, D KREIKEMEYER, BRADLEY, MK, UNTERBERGER, W, DUNCAN, DA, LEROTHOLI, TJ, ROBINSON, J and WOODRUFF, DP, 2011. The structure of methoxy species on Cu (110): A combined photoelectron diffraction and density functional theory determination: Surface Science Surface Science. 605(1-2), 193-205
  • KREIKEMEYER-LORENZO, D, UNTERBERGER, W, DUNCAN, DAVID A, BRADLEY, MATTHEW K, LEROTHOLI, TJ, ROBINSON, JIM and WOODRUFF, DP, 2011. Face-dependent bond lengths in molecular chemisorption: the formate species on Cu (111) and Cu (110): Physical Review Letters Physical Review Letters. 107(4), 046102
  • DUNCAN, DAVID A, UNTERBERGER, W, HOGAN, KA, LEROTHOLI, TJ, LAMONT, CLA and WOODRUFF, DP, 2010. A photoelectron diffraction investigation of vanadyl phthalocyanine on Au (111): Surface Science Surface Science. 604(1), 47-53
  • BRADLEY, MATTHEW K, LORENZO, D KREIKEMEYER, UNTERBERGER, WERNER, DUNCAN, DAVID A, LEROTHOLI, TJ, ROBINSON, JIM and WOODRUFF, DP, 2010. Methoxy species on Cu (110): understanding the local structure of a key catalytic reaction intermediate: Physical review letters Physical Review Letters. 105(8), 086101
  • JACKSON, DC, DUNCAN, DAVID A, UNTERBERGER, WERNER, LEROTHOLI, TJ, LORENZO, D KREIKEMEYER, BRADLEY, MATTHEW K and WOODRUFF, DP, 2010. Structure of cytosine on Cu (110): a scanned-energy mode photoelectron diffraction study: The Journal of Physical Chemistry C The Journal of Physical Chemistry C. 114(36), 15454-15463
  • MACLAREN, DONALD A, JOHNSTON, JACKIE, DUNCAN, DAVID A, MARCHETTO, HELDER, DHESI, SARNJEET S, GADEGAARD, NICOLAJ and KADODWALA, MALCOM, 2009. Asymmetric photoelectron transmission through chirally-sculpted, polycrystalline gold: Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 11(38), 8413-8416
  • ERNSTING, NIKOLAUS P, BREFFKE, JENS, VOROBYEV, DMITRY YU, DUNCAN, DAVID A and PFEFFER, INGA, 2008. Sub-picosecond fluorescence evolution of amino-cyano-stilbenes in methanol: polar solvation obeys continuum theory without evidence of twisting: Physical Chemistry Chemical Physics Physical Chemistry Chemical Physics. 10(15), 2043-2049

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