Publications 2011

https://www.empa.ch/documents/55905/445901/Exohedral+Hydrogen+Chemisorption+on+a+Carbon+Nanotube+The+Clustering+Effect.jpg/5766f0f5-7148-4b9a-9b5c-18f9937cf7a1?t=1451983928000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Exohedral Hydrogen Chemisorption on a Carbon Nanotube: Clustering Effect.

W. Andreoni, A. Curioni, J. M. H. Kroes, F. Pietrucci, O. Gröning

J. Phys. Chem. C  116, 269-275 (2011).

https://www.empa.ch/documents/55905/446755/Pseudomorphy%2C+surface+alloys+and+the+role+of+elementary+clusters+on+the+domain+orientations+in+the+Cu+Al13Co4+%28100%29+system.jpg/2c8d8d66-bb78-4487-806e-37249e9a3f21?t=1451984349000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Pseudomorphy, surface alloys and the role of elementary clusters on the domain orientations in the Cu/Al13Co4(100) system.

R. Addou, A. K. Shukla, M.-C. de Weerd, P. Gille, R. Widmer, O. Groening, V. Fournee, J.-M. Dubois, J. Ledieu

J. Phys.: Condens. Matter 23, 435009 (2011).

https://www.empa.ch/documents/55905/446755/Molecular+Bridges.jpg/bd4470ba-7cba-4be6-a1d5-97291b2dda67?t=1451989894000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Molecular Bridges

R. P. Berkelaar, H. Soede, T. F. Mocking, A. Kumar, B. Poelsema, H. J. W. Zandvliet

J. Phys. Chem. C 115, 2268 (2011).

https://www.empa.ch/documents/55905/446755/Free+energy+calculations+offer+insights+into+the+influence+of+receptor+flexibility+on+ligand%E2%80%93receptor+binding+affinities.jpg/45482ee4-40e2-4b23-bed4-fb6adf69afb9?t=1451990050000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities.

J. Dolenc, S. Riniker, R. Gaspari, X. Daura, W. van Gunsteren

J. Comput. Aided Mol. Des. 25, 709 (2011).

https://www.empa.ch/documents/55905/446755/Lead+adsorption+on+the+Al13Co4+%28100%29+surface+heterogeneous+nucleation+and+pseudomorphic+growth.jpg/97c5d16b-aad1-4aea-8a8a-835beb0640e6?t=1451990297000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Lead adsorption on the Al12Co4 (100) surface: heterogeneous nucleation and pseudomorphic growth.

R. Addou, A. K. Shukla, S. Alarcon Villaseca, E. Gaudry, Th. Deniozou, M. Heggen, M. Feuerbacher, R. Widmer, O. Gröning, V. Fournee, J.-M. Dubois, J. Ledieu

New J. Phys. 13, 103011 (2011).

https://www.empa.ch/documents/55905/446755/Supramolecular+Engineering+through+Temperature-Induced+Chemical+Modification+of+2H-Tetraphenylporphyrin+on+Ag+%28111%29+Flat+Phenyl+Conformation+and+Possible+Dehydrogenation+Reactions.jpg/35a6a93a-d78d-427c-8d8f-502965e1ac7d?t=1451990515000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Supramolecular Engineering through Temperature-Induced Chemical Modification of 2H-Tetraphenylporphyrin on Ag(111): Flat Phenyl Conformation and Possible Dehydrogenation Reactions

G. Di Santo, S. Blankenburg, C. Castelarin-Cudia, M. Fanetti, P. Borghetti, L. Sangalletti, L. Floreano, A. Verdini, E. Magnano, F. Bondino, C. A. Pignedoli, M.-T. Nguyen, R. Gaspari, D. Passerone, A. Goldoni

Chem. Eur. J. 17, 14354 (2011).

https://www.empa.ch/documents/55905/446755/Soft+plasma+processing+of+organic+nanowires+a+route+for+the+fabrication+of+1D+organic+heterostructures+and+the+template+synthesis+of+inorganic+1D+nanostructures.jpg/6278f683-704f-460a-9372-03e6206eb8b9?t=1451990671000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Soft plasma processing of organic nanowires: a route for the fabrication of 1D organic heterostructures and the template synthesis of inorganic 1D nanostructures

M. Alcaire, J. R. Sanchez-Valencia, F. J. Aparicio, Z. Saghi, J. C. Gonzales-Gonzales, A. Barranco, Y. O. Zian, A. R. Gonzales-Elipe, P. Midgley, J. P. Espinos, P. Groening, A. Borras

Nanoscale 3, 4554 (2011).

https://www.empa.ch/documents/55905/446755/Self-Assembly+and+Two-Dimensional+Spontaneous+Resolution+of+Cyano-Functionalized+%5B7%5D+Helicenes+on+Cu+%28111%29.jpg/3945aa6d-610e-4004-9d3d-b6d5e423a985?t=1451990794000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Self-Assembly and Two-Dimensional Spontaneous Resolution of Cyano-Functionalized [7]Helicenes on Cu(111)

M. Stoehr, S. Boz, M. Schaer, M.-T. Nguyen, C. A. Pignedoli, D. Passerone, W. B. Schweizer, C. A. Thilgen, T. A. Jung, F. Diederich

Angew. Chem. 50, 9982 (2011).

https://www.empa.ch/documents/55905/446755/s-orbital+continuum+model+accounting+for+the+tip+shape+in+simulated+scanning+tunneling+microscope+images.jpg/a6fc22ec-27c5-4786-b84a-c80e0913250f?t=1451991280000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

s-orbital continuum model accounting for the tip shape in simulated scanning tunneling microscope images

R. Gaspari, S. Blankenburg, C. A. Pignedoli, P. Ruffieux, M. Treier, R. Fasel, D. Passerone

Phys. Rev. B 84, 125417 (2011).

https://www.empa.ch/documents/55905/446755/Surface-supported+2D+heterotriangulene+polymers.jpg/09989596-669a-45c3-b293-1fbf17c36c2e?t=1451991453000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Surface-supported 2D heterotriangulene polymers

M. Bieri, S. Blankenburg, M. Kivala, C. A. Pignedoli, P. Ruffieux, K. Müllen, R. Fasel

Chem. Commun. 47, 10239 (2011).

https://www.empa.ch/documents/55905/446755/Subphthalocyanine-based+nanocrystals.jpg/f401dcfc-8666-47d1-8e58-b351c67a214e?t=1451991620000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Subphthalocyanine-based nanocrystals

M. Trelka, A. Medina, D. Écija, C. Urban, O. Gröning, R. Fasel, J. M. Gallego, C. G. Claessens, R. Otero, T. Torres, R. Miranda

Chem. Commun. 47, 9986 (2011)

https://www.empa.ch/documents/55905/446755/Evolution+of+the+Rashba+spin-orbit-split+Shockley+state+on+Ag+Pt+%28111%29.jpg/2323d123-c086-41a3-8407-8a3e25cee6f9?t=1451991796000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Evolution of the Rashba spin-orbit-split Shockley state on Ag/Pt(111).

A. Bendounan, K. Aït-Mansour, J. Braun, J. Minár, S. Bornemann, R. Fasel, O. Gröning, F. Sirotti, H. Ebert

Phys. Rev. B 83, 195427 (2011)

https://www.empa.ch/documents/55905/446755/Defect-induced+multicomponent+electron+scattering+in+single-walled+carbon+nanotubes.jpg/23e55347-6089-41c8-8665-7e2a918c0853?t=1451991961000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Defect-induced multicomponent electron scattering in single-walled carbon nanotubes.

D. Bercioux, G. Buchs, H. Grabert, O. Gröning

Phys. Rev. B 83, 165439 (2011)

https://www.empa.ch/documents/55905/446755/Complex+Interplay+and+Hierarchy+of+Interactions+in+Two-Dimensional+Supramolecular+Assemblies.jpg/1aa42763-39ea-4d50-973b-556d0944aad8?t=1451992140000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Complex interplay and hierarchy of interactions in two-dimensional supramolecular assemblies.

M. E. Cañas-Ventura, K. Aït-Mansour, P. Ruffieux, R. Rieger, K. Müllen, H. Brune, R. Fasel

ACS Nano 5, 457 (2011)

https://www.empa.ch/documents/55905/446755/Encapsulated+Inorganic+Nanostructures+A+Route+to+Sizable+Modulated+Noncovalent+On-Tube+Potentials+in+Carbon+Nanotubes.jpg/119bffef-a70b-4e30-8675-2c23b679df0b?t=1451992320000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Encapsulated inorganic nanostructures: a route to sizable modulated, noncovalent, on-tube potentials in carbon nanotubes.

A. Ilie, J. S. Bendall, K. Nagaoka, S. Egger, T. Nakayama, S. Crampin

ACS Nano 5, 2559 (2011)

https://www.empa.ch/documents/55905/446755/An+ab+initio+insight+into+the+Cu%28111%29+-+mediated+Ullmann+reaction.jpg/98568042-7b4d-4676-b4ef-c6498297b7b9?t=1451992510000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

An ab initio insight into the Cu(111)-mediated Ullmann reaction.

M. T. Nguyen, C. A. Pignedoli, D. Passerone

Phys. Chem. Chem. Phys. 13, 154 (2011)

https://www.empa.ch/documents/55905/446755/Two-Dimensional+Self-Assembly+of+Chiral+Malic+Acid+on+Cu+%28110%29.jpg/64af356d-6d08-49f0-8286-425301418c0e?t=1451992687000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Two-dimensional self-assembly of chiral malic acid on Cu(110)

C. Roth, D. Passerone, L. Merz, M. Parschau, K.-H. Ernst

J. Phys. Chem. C 115, 1240 (2011)

https://www.empa.ch/documents/55905/446755/Methane+adsorption+on+graphene+from+first+principles+including+dispersion+interaction.jpg/5cf768e0-9303-4ee6-9b80-1c08ea93e73d?t=1451992816000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Methane adsorption on graphene from first principles including dispersion interaction

C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W. G. Schmidt

Surf. Sci. 605, 746 (2011)

https://www.empa.ch/documents/55905/446755/Surface-assisted+cyclodehydrogenation+provides+a+synthetic+route+towards+easily+processable+and+chemically+tailored+nanographenes.jpg/6c57a7e3-c587-4a23-b557-0474e68c39c8?t=1451993015000&doAsUserId=mLYofz1ofIc4z2qdMCjTcg%3D%3D%3F_NewsPortlet_categoryId%3D56982

Surface-assisted cyclodehydrogenation provides a synthetic route towards easily processable and chemically tailored nanographenes

M. Treier, C. A. Pignedoli, T. Laino, R. Rieger, K. Müllen, D. Passerone, R. Fasel

Nature Chemistry 3, 61 (2011)


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