Papers

updated March 2018

2018

Schilling M, Luber S (2018). Computational Modeling of Cobalt-based Water Oxidation: Current Status and Future Challenges. Front Chem [Epub ahead of print].

Joliat-Wick E, Weder N, Klose D, Bachmann C, Spingler B, Probst B, Alberto R (2018). Light-Induced H2 Evolution with a Macrocyclic Cobalt Diketo-Pyrphyrin as a Proton-Reducing Catalyst. Inorg Chem, 57(3): 1651–1655.

Kraack JP, Hamm P (2018). Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces. J Phys Chem C, 122(4): 2259–2267.

Kraack JP, Sévery L, Tilley SD, Hamm P (2018). Plasmonic Substrates Do Not Promote Vibrational Energy Transfer at Solid–Liquid Interfaces. J Phys Chem Lett, 9(1), 49–56.

Sambalova O, Borgschulte A (2018). Membrane Concept for Environmental Surface Science. J Alloys Compd, 742: 518–523.

2017

Borgschulte A, Sambalova O, Delmelle R, Jenatsch S, Hany R, Nüesch F (2017). Hydrogen reduction of molybdenum oxide at room temperature. Sci Rep, 7: 40761.

Cook DS, Wu Y, Lienau K, Moré R, Kashtiban RJ, Magdysyuk OV, Patzke GR, Walton RI (2017). Time-Resolved Powder X-Ray Diffraction of the Solvothermal Crystallization of Cobalt Gallate Spinel Photocatalyst Reveals Transient Layered Double Hydroxides. Chem Mater, 29(12): 5053–5057.

Cui C, Heggen M, Zabka W-D, Cui W, Osterwalder J, Probst B, Alberto R (2017).  Atomically Dispersed Hybrid Nickel-Iridium Sites for Photoelectrocatalysis. Nat Commun, 8: 1341.

Dai W, Lee L-T, Schütz A, Zelenay B, Zheng Z, Borgschulte A, Döbeli M, Abuillan W, Konovalov OV, Tanaka M, Schlüter AD (2017). Three-Legged 2,2′-Bipyridine Monomer at the Air/Water Interface: Monolayer Structure and Reactions with Ni(II) Ions from the Subphase. Langmuir, 33(7): 1646–1654.

Gil-Sepulcre M, Böhler M, Schilling M, Bozoglian F, Bachmann C, Scherrer D, Fox T, Spingler B, Gimbert-Suriñach C, Alberto R, Bofill R, Sala X, Luber S, Richmond CJ, Llobet A (2017). Ruthenium Water Oxidation Catalysts Based on Pentapyridyl Ligands. ChemSusChem, 10(22): 4517–4525.

Graf M, Mette G, Leuenberger D, Gurdal Y, Iannuzzi M, Zabka W-D, Schnidrig S,  Probst B, Hutter J, Alberto R, Osterwalder J (2017). The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110). Nanoscale, 9: 8756-8763.

Gurdal Y, Hutter J, Iannuzzi M (2017). Insight into (Co)Pyrphyrin Adsorption on Au(111): Effects of Herringbone Reconstruction and Dynamics of Metalation. J Phys Chem C, 121(21): 11416–11427.

Hodel FH, Deglmann P, Luber S (2017). Exploring Solvation Effects in Ligand-Exchange Reactions via Static and Dynamic Methods. J Chem Theory Comput, 13(7): 3348–3358.

Hodel FH, Luber S (2017). Dehydrogenation Free Energy of Co2+(aq) from Density Functional Theory-Based Molecular Dynamics. J Chem Theory Comput, 13(3): 974–981.

Hoes M, Muhich CL, Jacot R, Patzke GR, Steinfeld A (2017). Thermodynamics of Paired Charge-Compensating Doped Ceria with Superior Redox Performance for Solar Thermochemical Splitting of H2O and CO2. J Mater Chem A, 5(36): 19476–19484.

Jacot R, Moré R, Michalsky R, Steinfeld A, Patzke GR (2017). Trends in the Phase Stability and Thermochemical Oxygen Exchange of Ceria Doped with Potentially Tetravalent Metals. J Mater Chem A, 5(37): 19901–19913.

Kraack JP, Kaech A,  Hamm P (2017). Molecule-Specific Interactions of Diatomic Adsorbates at Metal-Liquid Interfaces. Struct Dyn, 4(4): 044009 DOI: 10.1063/1.4978894

Kraack JP, Hamm P (2017). Surface-Sensitive and Surface-Specific Ultrafast Two-Dimensional Vibrational Spectroscopy. Chem Rev, 117(16): 10623-10664.

Kraack JP, Frei A, Alberto R, Hamm P (2017). Ultrafast Vibrational Energy Transfer in Catalytic Monolayers at Solid–Liquid Interfaces. J Phys Chem Lett, 8(11): 2489–2495.

Kuss-Petermann M, Orazietti M, Neuburger M, Hamm P, Wenger OS (2017). Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer. J Am Chem Soc, 139(14): 5225–5232.

Leuenberger D, Zabka W-D, Shah O-F R, Schnidrig S, Probst B, Alberto R, Osterwalder J (2017). Atomically Resolved Band Bending Effects in a P-n Heterojunction of Cu2O and a Cobalt Macrocycle. Nano Lett, 17(11): 6620–6625.

Li J, Güttinger R, Moré R, Song F, Wan W, Patzke GR (2017). Frontiers of water oxidation: the quest for true catalysts. Chem Soc Rev, 46: 6124-6147.

Li J, Wäckerlin C, Schnidrig S, Joliat E, Alberto R, Ernst K-H (2017). On-Surface Metalation and 2D Self-Assembly of Pyrphyrin Molecules Into Metal-Coordinated Networks on Cu(111). Helv Chim Acta, 100: e1600278.

Luber S (2017). Raman Optical Activity Spectra from Density Functional Perturbation Theory and Density-Functional-Theory-Based Molecular Dynamics. J Chem Theory Comput, 13(3): 1254–1262.

Mairena A, Zoppi L, Seibel J, Tröster AF, Grenader K, Parschau M, Terfort A, Ernst K-H (2017). Heterochiral to Homochiral Transition in Pentahelicene 2D Crystallization Induced by Second-Layer Nucleation. ACS Nano, 11(1): 865–871.

Moehl T, Suh J, Severy L, Wick-Joliat R, Tilley SD (2017). Investigation of (Leaky) ALD TiO2 Protection Layers for Water-Splitting Photoelectrodes. ACS Appl Mater Interfaces, 9(50): 43614–43622.

Moré R, Olah M, Balaghi SE, Jäker P, Siol S, Zhou Y, Patzke GR (2017). Bi2O2CO3 Growth at Room Temperature: In Situ X-Ray Diffraction Monitoring and Thermal Behavior. ACS Omega, 2(11): 8213–8221.

Niu W, Moehl T, Cui W, Wick-Joliat R, Zhu L, Tilley SD (2017). Extended Light Harvesting with Dual Cu2O-   Based Photocathodes for High Efficiency Water Splitting. Adv Energy Mater, 1702323.

Prabhakar RR, Septina W, Siol S, Moehl T, Wick-Joliat R, Tilley SD (2017). Photocorrosion-Resistant Sb2Se3 Photocathodes with Earth Abundant MoSx Hydrogen Evolution Catalyst. J Mater Chem A, 5(44): 23139–23145.

Rieger A, Schnidrig S, Probst B, Ernst K-H, Wäckerlin C (2017). Identification of On-Surface Reaction Mechanism by Targeted Metalation. J Phys Chem C, 121(49): 27521–27527.

Rieger A, Schnidrig S, Probst B, Ernst K-H, Wäckerlin C (2017). Ranking the Stability of Transition-Metal Complexes by On-Surface Atom Exchange. J Phys Chem Lett, 8(24): 6193–6198.

Sambalova O, Pena YA, Delmelle R, Cirelli C, Patterson B, Barbato F, Bleiner D, Borgschulte A (2017). X-Ray Absorption Spectroscopy Probing Hydrogen in Metals. In X-Ray Lasers and Coherent X-Ray Sources: Development and Applications; Klisnick, A., Menoni, C. S., Eds.; Spie-Int Soc Optical Engineering: Bellingham, 2017; Vol. 10243, p UNSP 102430P.

Schilling M, Hodel FH, Luber S (2017). Discovery of Open Cubane Core Structures for Biomimetic LnCo3(OR)4 Water Oxidation Catalysts. ChemSusChem, 10(22): 4561–4569.

Schnidrig S, Bachmann C, Müller P, Weder N, Spingler B, Joliat-Wick E, Mosberger M, Windisch J, Alberto R, Probst B (2017). Structure–Activity and Stability Relationships for Cobalt Polypyridyl-Based Hydrogen-Evolving Catalysts in Water. ChemSusChem, 10(22): 4570–4580.

Septina W, Prabhakar RR, Wick R, Moehl T, Tilley SD (2017). Stabilized Solar Hydrogen Production with CuO/CdS Heterojunction Thin Film Photocathodes.Chem Mater, 29(4): 1735-1743.

Septina W, Tilley SD (2017). Emerging Earth-Abundant Materials for Scalable Solar Water Splitting. Curr Opin Electrochem, 2(1): 120–127.

Song F, More R, Schilling M, Smolentsev G, Azzaroli N, Fox T, Luber S, Patzke GR (2017). {Co4O4} and {CoxNi4–xO4} Cubane Water Oxidation Catalysts as Surface Cut-Outs of Cobalt Oxides. J Am Chem Soc, 139(40): 14198–14208.

von Allmen KD, Grundmann H, Linden A, Patzke GR (2017). Synthesis and Characterization of 0D–3D Copper-Containing Tungstobismuthates Obtained from the Lacunary Precursor Na9[B-α-BiW9O33]. Inorg Chem, 56(1): 327–335.

Wang F, Septina W, Chemseddine A, Abdi FF, Friedrich D, Bogdanoff P, van de Krol R, Tilley SD, Berglund SP (2017). Gradient Self-Doped CuBi2O4 with Highly Improved Charge Separation Efficiency. J Am Chem Soc, 139(42): 15094–15103.

Wörner HJ, Arrell CA, Banerji N, Cannizzo A, Chergui M, Das AK, Hamm P, Keller U, Kraus PM, Liberatore E, Lopez-Tarifa P, Lucchini M, Meuwly M, Milne C, Moser J-E, Rothilsberger U, Smolentsev G, Teuscher J, van Bockhoven JA, Wenger O (2017). Charge Migration and Charge Transfer in Molecular Systems. Struct Dyn, 4(6): 061508.

Zabka W-D, Leuenberger D, Mette G, Osterwalder J (2017). From Two- to Three-Dimensional Alumina: Interface Templated Films and Formation of the γAl2O3(111) Nuclei. Phys Rev B, 96(15): 155420.

2016

Bachmann C, Probst B, Oberholzer M, Fox T, Alberto R (2016). Photocatalytic Proton Reduction with Ruthenium and Cobalt Complexes Immobilized on Fumed Reversed-Phase Silica. Chem Sci, 7(1): 436–445.

Kraack JP, Hamm P (2016). Vibrational ladder-climbing in surface-enhanced, ultrafast infrared spectroscopy. Phys Chem Chem Phys, 18(24): 16088–16093.

Scherrer D, Schilling M, Luber S, Fox T, Spingler B, Alberto R, Richmond CJ (2016). Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH2). Dalton Trans, 45: 19361-19367.

Hodel FH, Luber S (2016). Redox-Inert Cations Enhancing Water Oxidation Activity: The Crucial Role of Flexibility. ACS Catal, 6(10): 6750–6761.

Schilling M, Patzke GR, Hutter J, Luber S (2016). Computational Investigation and Design of Cobalt Aqua Complexes for Homogeneous Water Oxidation. J Phys Chem. C, 120(15): 7966–7975.

Martindale BCM, Joliat E, Bachmann C, Alberto R, Reisner E (2016). Clean Donor Oxidation Enhances H2 Evolution Activity of a Carbon Quantum Dot–Molecular Catalyst Photosystem. Angew Chem, 128: 9548-9552.

Mette G, Sutter D, Gurdal Y, Schnidrig S, Probst B, Iannuzzi M, Hutter J, Alberto R, Osterwalder J. From porphyrins to pyrphyrins: adsorption study and metalation of a molecular catalyst on Au(111). Nanoscale, 8(15): 7958–7968.

Kong D, Zhu J, Ernst K-H (2016). Low-Temperature Dissociation of CO2 on a
Ni/CeO2(111)/Ru(0001) Model Catalyst.
J Phys Chem C, 120(11), 5980–5987.

Kraack JP, Kaech A, Hamm P (2016). Surface Enhancement in Ultrafast 2D ATR IR Spectroscopy at the Metal-Liquid Interface. J Phys Chem C, 120(6): 3350–3359.

Lotti D, Hamm P, Kraack JP (2016). Surface-Sensitive Spectro-electrochemistry Using Ultrafast 2D ATR IR Spectroscopy. J Phys Chem C, 120(5): 2883––2892.

Hodel FH, Luber S (2016). What Influences the Water Oxidation Activity of a Bioinspired Molecular CoII4O4 Cubane? An In-Depth Exploration of Catalytic Pathways. ACS Catal, 6(3): 1505–1517.

Liu H, Moré R, Grundmann H, Cui C, Erni R, Patzke GR (2016). Promoting Photochemical Water Oxidation with Metallic Band Structures. J Am Chem Soc, 138(5):1527-35.

Orazietti M, Kuss-Petermann M, Hamm P, Wenger OS (2016). Light-Driven Electron Accumulation in a Molecular Pentad. Angew Chem Int Ed Engl, 55(32): 9407–9410.

Rodenberg A, Orazietti M, Mosberger M, Bachmann C, Probst B, Alberto R, Hamm P (2016). Quinones as Reversible Electron Relays in Artificial Photosynthesis. Chem Phys Chem, 17(9): 1321-1328.

Joliat E, Schnidrig S, Probst B, Bachmann C, Spingler B, Baldridge KK, von Rohr F, Schilling A, Alberto R (2016). Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction. Dalton Trans, 45: 1737-1745.

Wäckerlin C, Li J, Mairena A, Martin K, Avarvari N, Ernst K-H (2016). Surface-Assisted Diastereoselective Ullmann Coupling of Bishelicenes. Chem Comm, 52(86): 12694–12697.

Windisch J, Orazietti M, Hamm P, Alberto R, Probst B (2016). General Scheme for Oxidative Quenching of a Copper Bis-Phenanthroline Photosensitizer for Light-Driven Hydrogen Production. ChemSusChem, 9(13): 1719–1726.

2015

Cooper T, Scheffe JR, Galvez ME, Jacot R, Patzke G, Steinfeld A (2015). Lanthanum Manganite Perovskites with Ca/Sr A-Site and Al B-Site Doping as Effective Oxygen Exchange Materials for Solar Thermochemical Fuel Production. Energy Technol, 3(11): 1130–1142.

Mintrop L, Windisch J, Gotzmann C, Alberto R, Probst B, Kurz P (2015). SnIV
Metalloporphyrin/CoIII Complex: An All-Abundant-Element System for the Photocatalytic Production of H2 in Aqueous Solution.
J Phys Chem B, 119(43): 13698–13706.

Wick R, Tilley SD (2015). Photovoltaic and Photoelectrochemical Solar Energy Conversion with Cu2O. J Phys Chem C, 119(47): 26243–26257.

Zoppi L, Ferretti A, Baldridge KK (2015). Tuning Electron Transport through Functionalized C20H10 Molecular Junctions. J Chem Theory Comput, 11(10): 4900–4910.

Dutta AK, Linden A, Zoppi L, Baldridge KK, Siegel JS (2015). Extended Corannulenes: Aromatic Bowl/Sheet Hybridization. Angew Chem Int Ed., 54(37): 10792–10796.

Liu H, Schilling M, Yulikov M, Luber S, Patzke GR (2015). Homogeneous Photochemical Water Oxidation with Cobalt Chloride in Acidic Media. ACS Catal, 5(9): 4994–4999.

Evangelisti F, Moré R, Hodel F, Luber S, Patzke GR (2015). 3d–4f {CoII3Ln(OR)4} Cubanes as Bio-Inspired Water Oxidation Catalysts. J Am Chem Soc, 137(34): 11076–11084.

von Allmen K, Moré R, Müller R, Soriano-López J, Linden A, Patzke GR (2015). Nickel-Containing Keggin-Type Polyoxometalates as Hydrogen Evolution Catalysts: Photochemical Structure–Activity Relationships. Chem Plus Chem, 80(9): 1389–1398.

Gurdal Y, Luber S, Hutter J, Iannuzzi M (2015). Non-innocent adsorption of Co-pyrphyrin on rutile(110). Phys Chem Chem Phys, 17(35): 22846–22854.

Ernst K-H, Baumann S, Lutz CP, Seibel J, Zoppi L, Heinrich AJ (2015). Pasteur’s Experiment Performed at the Nanoscale: Manual Separation of Chiral Molecules, One by One. Nano Lett, 15(8): 5388–5392.

Seibel J, Parschau M, Ernst K-H (2015). From Homochiral Clusters to Racemate Crystals: Viable Nuclei in 2D Chiral Crystallization. J Am Chem Soc, 137(25): 7970–7973.

Kraack JP, Lotti D, Hamm P (2015). 2D attenuated total reflectance infrared spectroscopy reveals ultrafast vibrational dynamics of organic monolayers at metal-liquid interfaces. J Chem Physics, 142(21): 212413.

Liu H, Zhou Y, Moré R, Müller R, Fox T, Patzke GR (2015). Correlations among Structure, Electronic Properties, and Photochemical Water Oxidation: A Case Study on Lithium Cobalt Oxides. ACS Catal, 5(6): 3791–3800.

Rossell MD, Agrawal P, Borgschulte A, Hébert C, Passerone D, Erni R (2015). Direct Evidence of Surface Reduction in Monoclinic BiVO4. Chem Mater, 27(10): 3593–3600.

Delmelle R, Probst B, Alberto R, Züttel A, Bleiner D, Borgschulte A (2015). Closing the pressure gap in x-ray photoelectron spectroscopy by membrane hydrogenation.
Review of Scientific Instruments, 86(5): 053104.

Wang F, Cao K, Wu Y, Patzke GR, Zhou Y (2015). Electronic and optical properties of N-doped Bi2O3 polymorphs for visible light-induced photocatalysis.
J Mol Model, 21(3): 1–8.

Gálvez ME, Jacot R, Scheffe J, Cooper T, Patzke G, Steinfeld A (2015). Physico-chemical changes in Ca, Sr and Al-doped La–Mn–O perovskites upon thermochemical splitting of CO2 via redox cycling. Phys Chem Chem Phys, 17(9): 6629–6634.

Ressnig D, Shalom M, Patscheider J, Moré R, Evangelisti F, Antonietti M, Patzke GR (2015). Photochemical and electrocatalytic water oxidation activity of cobalt carbodiimide (2015). J Mater Chem A, 3(9): 5072–5082.

Rodenberg A, Orazietti M, Probst B, Bachmann C, Alberto R, Baldridge KK, Hamm P (2015). Mechanism of Photocatalytic Hydrogen Generation by a Polypyridyl-Based Cobalt Catalyst in Aqueous Solution. Inorg Chem 54(2): 646–657.

Lu R-Q, Zhou Y-N, Yan X-Y, Shi K, Zheng Y-Q, Luo M, Wang X-C, Pei J, Xia H, Zoppi L, Baldridge KK, Siegel JS, Cao X-Y (2015). Thiophene-fused bowl-shaped polycyclic aromatics with a dibenzo[a,g]corannulene core for organic field-effect transistors.
Chem Commun, 51(9): 1681–1684.

Kraack JP, Lotti D, Hamm P (2015). Surface-enhanced, multi-dimensional attenuated total reflectance spectroscopy. Proceedings Volume 9549, Physical Chemistry of Interfaces and Nanomaterials XIV; 95490S (2015); doi: 10.1117/12.2185533.

2014

Delmelle R, Gehrig JC, Borgschulte A, Züttel A (2014). Reactivity enhancement of oxide skins in reversible Ti-doped NaAlH4. AIP Advances, 4(12): 127130.

Zoppi L, Martin-Samos L, Baldridge KK (2014). Structure–Property Relationships of Curved Aromatic Materials from First Principles. Acc Chem Res, 47(11): 3310–3320.

Lu R-Q, Zheng Y-Q, Zhou Y-N, Yan N-Y, Lei T, Shi K, Zhou Y, Pei J, Zoppi L, Baldridge KK, Siegel JS, Cao X-Y (2014). Corannulene derivatives as non-fullerene acceptors in solution-processed bulk heterojunction solar cells. J Mater Chem A, 2(48): 20515–20519.

Liu H, Patzke GR (2014). Visible-Light-Driven Water Oxidation with Nanoscale Co3O4: New Optimization Strategies. Chem Asian J, 9(8): 2249–2259.

Seibel J, Zoppi L, Ernst K-H (2014). 2D conglomerate crystallization of heptahelicene. Chem Commun, 50 (63): 8751–8753.

Kraack JP, Lotti D, Hamm P (2014). Ultrafast, Multidimensional Attenuated Total Reflectance Spectroscopy of Adsorbates at Metal Surfaces. J Phys Chem Lett, 5(13): 2325–2329.

Zhang Q, Zhou Y, Wang F, Dong F, Li W, Li H, Patzke GR (2014). From semiconductors to semimetals: bismuth as a photocatalyst for NO oxidation in air. J Mater Chem A, 2(29): 11065–11072.

Oberholzer M, Probst B, Bernasconi D, Spingler B, Alberto R (2014). Photosensitizing Properties of Alkynylrhenium(I) Complexes [Re(–C≡C–R)­(CO)3(N∩N)] (N∩N = 2,2′-bipy, phen) for H2 Production. Eur J Inorg Chem, 19: 3002–3009.

Ernst K-H (2014). Charged-Molecule Physics. ACS Nano, 8(6): 5375–5379.

Bachmann C, Probst B, Guttentag M, Alberto R (2014). Ascorbate as an electron relay between an irreversible electron donor and Ru(II) or Re(I) photosensitizers. Chem Commun, 50 U(51): 6737–6739.

von Allmen K, Car P-E, Blacque O, Fox T, Müller R, Patzke GR (2014). Structure and Properties of New Gallium-containing Polyoxotungstates with Hexanuclear and Tetranuclear Cores. Z anorg allg Chem, 640(5): 781–789.

Stöckl Q, Bandera D, Kaplan CS, Ernst K-H, Siegel S (2014). Gear-Meshed Tiling of Surfaces with Molecular Pentagonal Stars. J Am Chem Soc, 136(2): 606–609.

2013

Evangelisti F, Güttinger R, Moré R, Luber S, Patzke GR (2013). Closer to Photosystem II: A Co4O4 Cubane Catalyst with Flexible Ligand Architecture. J Am Chem Soc, 135(50): 18734–18737.

Zoppi L, Ferretti A, Baldridge KK (2013). Static and Field-Oriented Properties of Bowl-Shaped Polynuclear Aromatic Hydrocarbon Fragments. J Chem Theory Comput, 9(11): 4797–4804.

Evangelisti F, Car P-E, Blacque O, Patzke GR (2013). Photocatalytic water oxidation with cobalt-containing tungstobismutates: tuning the metal core. Catal Sci Technol, 3(12): 3117–3129.

Bauert T, Zoppi L, Koller G, Siegel JS, Baldridge KK, Ernst K-H (2013). Quadruple Anionic Buckybowls by Solid-State Chemistry of Corannulene and Cesium. J Am Chem Soc, 135(34): 12857–12860.

Bachmann C, Guttentag M, Spingler B, Alberto R (2013). 3rd element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities. Inorg Chem, 52(10): 6055–6061.