Publications

updated October 2018

2018

Cui W, Niu WZ, Wick-Jolat R, Moehl T, Tilley SD (2018). Operando deconvolution of photovoltaic and electrocatalytic performance in ALD TiO2 protected water splitting photocathodes. Chemical Science, 9(28): 6062-6067.

Jacot R, Naik JM, More R, Michalsky R, Steinfeld A, Patzke GR (2018). Reactive stability of promising scalable doped ceria materials for thermochemical two-step CO2 dissociation. J Mater Chem A, 6(14): 5807-5816.

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.

Keller SG, Probst B, Heinisch T, Alberto R, Ward TR (2018). Photo-Driven Hydrogen Evolution by an Artificial Hydrogenase Utilizing the Biotin-Streptavidin Technology. Helv Chim Acta, 101(4): e1800036.

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.

Li J, Martin K, Avarvari N, Wäckerlin C, Ernst K-H (2018). Spontaneous separation of on-surface synthetized tris-helicenes into two-dimensional homochiral domains. Chem Commun, 54: 7948-7951.

Luber S (2018). Advancing Computational Approaches for Study and Design in Catalysis. Chimia, 72(7-8): 508-513.

Luber S (2018). Dynamic ab initio Methods for Vibrational Spectroscopy. Chimia, 72(5): 328-332.

Mairena A, Wienke M, Martin K, Avarvari N, Terfort A, Ernst K-H, Wäckerlin C (2018). Stereospecific Autocatalytic Surface Explosion Chemistry of Polycyclic Aromatic Hydrocarbons. J Am Chem Soc, 140: 7705- 7709.

Musso T, Caravati S, Hutter J, Iannuzzi M (2018). Second generation Car-Parrinello MD: application to the h-BN/Rh(111) nanomesh. Eur Phys J B, 91: 148.

Müller RJ, Lan J, Lienau K, Moré R, Triana CA, Iannuzzi M, Patzke GR (2018). Monitoring surface transformations of metal carbodiimide water oxidation catalysts by operando XAS and Raman spectroscopy. Dalton Trans, 47(31): 10759-10766.

Müller R, Kuznetsov I, Arbelo-Pena Y, Trottmann M, Menoni C, Rocca J, Patzke GR, Bleiner D (2018). Depth-profiling Microanalysis of CoNCN Water-oxidation Catalyst using a λ=46.9 nm Plasma-Laser for Nano-Ionization Mass Spectrometry. Anal Chem, 90: 9234-9240.

Niu W, Moehl T, Cui W, Wick-Joliat R, Zhu L, Tilley SD (2018). Extended Light Harvesting with Dual Cu2O‐Based Photocathodes for High Efficiency Water Splitting. Adv Energy Mater, 8(10): 1702323.

Paleček D, Tek G, Lan J, Iannuzzi M, Hamm P (2018). Characterization of the Platinum−Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy. J Phys Chem Lett, 9(6): 1254-1259.

Reith L, Lienau K, Cook DS, Moré R, Walton RI, Patzke GR (2018). Monitoring the Hydrothermal Growth of Cobalt Spinel Water Oxidation Catalysts: From Preparative History to Catalytic Activity. Chemistry, A European Journal [Epub ahead of print].

Rieger A, Sax C, Bauert T, Wäckerling C, Ernst K-H (2018). Chiral molecules adsorbed on a solid surface: Tartaric acid diastereomers and their surface explosion on Cu(111). Chirality, 30: 369-377.

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

Schilling M, Luber S (2018). Computational Modeling of Cobalt-based Water Oxidation: Current Status and Future Challenges. Front Chem, 6: 100.

Schilling M, Böhler M, Luber S (2018). Towards the rational design of the Py5-ligand framework for ruthenium-based water oxidation catalysts. Dalton Trans, 47: 10480-10490.

Smolentsev G, Soldatov MA, Probst B, Bachmann C, Azzaroli N, Alberto R, Nachtegaal M, van Bokhoven JA (2018). Structure of the Co-I Intermediate of a Cobalt Pentapyridyl Catalyst for Hydrogen Evolution Revealed by Time-Resolved X-ray Spectroscopy. ChemSusChem, 11: 3087- 3091.

Soriano-Lopez J, Song F, Patzke GR, Galan-Mascaros JR (2018). Photoinduced oxygen evolution catalysis promoted by polyoxometalate salts of cationic photosensitizers. Front Chem, 6: 302.

Yu S, Fan X-B, Wang X, Li J, Zhang Q, Xia A, Wei S, Wu L-Z, Zhou Y, Patzke GR (2018). Efficient photocatalytic hydrogen evolution with ligand engineered all-inorganic InP/ZnS colloidal quantum dots. Nature Communications, 9: 4009.

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, Moré 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.