C. Pignedoli

发表

First Principles Simulations of SiC-Based Interfaces

A. Catellani, G. Cicero, M. Righi, 2005 .

Electron Excess Induced Defects in Materials: the Case of Oxygen in Wurtzite Aluminum Nitride.

H. Hug, C. Pignedoli, Piero Gasparotto, 2020, 2009.13186.

Molecules-oligomers-nanowires-graphene nanoribbons: a bottom-up stepwise on-surface covalent synthesis preserving long-range order.

C. Pignedoli, Andrea Basagni, F. Sedona, 2015, Journal of the American Chemical Society.

Bottom-Up Synthesis of Heteroatom-Doped Chiral Graphene Nanoribbons.

C. Pignedoli, K. Müllen, Xinliang Feng, 2018, Journal of the American Chemical Society.

Graphene nanoribbon heterojunctions.

Reinhard Berger, Jinming Cai, Leopold Talirz, 2014, Nature nanotechnology.

Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111).

Aliaksandr V. Yakutovich, A. Tkatchenko, C. Pignedoli, 2017, Journal of the American Chemical Society.

Mechanical signatures of degradation of the photovoltaic perovskite CH3NH3PbI3 upon water vapor exposure

W. Andreoni, C. Pignedoli, L. Forró, 2017 .

Does rotational melting make molecular crystal surfaces more slippery?

E. Tosatti, C. Pignedoli, D. Passerone, 2014, Nanoscale.

Interface engineering for enhanced electron mobilities in W/HfO/sub 2/ gate stacks

A. Curioni, V. Narayanan, R. Jammy, 2004, IEDM Technical Digest. IEEE International Electron Devices Meeting, 2004..

Open-shell Non-benzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings.

C. Pignedoli, C. Corminboeuf, K. Müllen, 2019, Journal of the American Chemical Society.

On-Surface Synthesis of Heptacene Organometallic Complexes.

C. Pignedoli, P. Ruffieux, R. Fasel, 2017, Journal of the American Chemical Society.

Room temperature metalation of 2H-TPP monolayer on iron and nickel surfaces by picking up substrate metal atoms.

C. Pignedoli, A. Verdini, A. Goldoni, 2012, ACS nano.

Supramolecular engineering through temperature-induced chemical modification of 2H-tetraphenylporphyrin on Ag(111): flat phenyl conformation and possible dehydrogenation reactions.

C. Pignedoli, M. Fanetti, A. Verdini, 2011, Chemistry.

TDDFT-Based Spin–Orbit Couplings of 0D, 1D, and 2D Carbon Nanostructures: Static and Dynamical Effects

I. Tavernelli, C. Pignedoli, F. F. D. Carvalho, 2017 .

On-surface Synthesis and Characterization of Triply-fused Porphyrin-Graphene Nanoribbon Hybrids.

Qiang Sun, C. Pignedoli, P. Ruffieux, 2019, Angewandte Chemie.

Engineering of robust topological quantum phases in graphene nanoribbons

Colin Daniels, C. Pignedoli, K. Müllen, 2018, Nature.

On-surface synthesis and characterization of individual polyacetylene chains

Qiang Sun, C. Pignedoli, P. Ruffieux, 2019, Nature Chemistry.

Negatively-curved warped nanographene self-assembled on metal surfaces.

C. Pignedoli, L. T. Scott, P. Ruffieux, 2019, Journal of the American Chemical Society.

Lightwave-driven scanning tunnelling spectroscopy of atomically precise graphene nanoribbons

C. Pignedoli, P. Ruffieux, R. Fasel, 2021, Nature Communications.

Metallic carbon nanotube quantum dots with broken symmetries as a platform for tunable terahertz detection

A. Ayuela, C. Pignedoli, D. Passerone, 2020, Applied Physics Reviews.

Anomalous behavior of the dielectric constant of hafnium silicates: a first principles study.

A. Curioni, W. Andreoni, C. Pignedoli, 2006, Physical review letters.

Phase constitution and interface structure of nano-sized Ag-Cu/AlN multilayers: Experiment and ab initio modeling

C. Pignedoli, D. Passerone, M. Parlińska-Wojtan, 2012 .

Role of negatively charged defects in the lattice contraction of Al–Si–N

H. Hug, C. Pignedoli, D. Passerone, 2010 .

Ab initio simulations of the Ag(111)/Al2O3 interface at intermediate oxygen partial pressures

M. L. Muolo, A. Passerone, C. Pignedoli, 2010 .

Water Formation for the Metalation of Porphyrin Molecules on Oxidized Cu(111).

C. Pignedoli, A. Verdini, A. Goldoni, 2016, Chemistry.

Self-assembly and two-dimensional spontaneous resolution of cyano-functionalized [7]helicenes on Cu111.

F. Diederich, M. Schär, C. Pignedoli, 2011, Angewandte Chemie.

Chirality transfer in 1D self-assemblies: influence of H-bonding vs metal coordination between dicyano[7]helicene enantiomers.

F. Diederich, M. Schär, C. Pignedoli, 2013, Journal of the American Chemical Society.

Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations.

A. Curioni, W. Andreoni, C. Pignedoli, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

On-surface synthesis of π-conjugated ladder-type polymers comprising nonbenzenoid moieties

C. Pignedoli, P. Ruffieux, R. Fasel, 2021, RSC advances.

On-surface synthesis and characterization of nitrogen-substituted undecacenes

Y. S. Chan, C. Pignedoli, D. Passerone, 2022, Nature Communications.

Synthesis and characterization of [7]triangulene.

C. Pignedoli, Kun Xu, Xinliang Feng, 2021, Nanoscale.

Large-Cavity Coronoids with Different Inner and Outer Edge Structures

C. Pignedoli, K. Müllen, P. Ruffieux, 2020, Journal of the American Chemical Society.

Superlubricity of graphene nanoribbons on gold surfaces

E. Meyer, C. Pignedoli, S. Kawai, 2016, Science.

Giant edge state splitting at atomically precise graphene zigzag edges

C. Pignedoli, K. Müllen, Xinliang Feng, 2015, Nature Communications.

On-surface synthesis of antiaromatic and open-shell indeno[2,1-b]fluorene polymers and their lateral fusion into porous ribbons.

Aliaksandr V. Yakutovich, C. Pignedoli, K. Müllen, 2019, Journal of the American Chemical Society.

Asymmetric azide-alkyne Huisgen cycloaddition on chiral metal surfaces

C. Pignedoli, R. Widmer, R. Hany, 2021, Communications Chemistry.

Near-enantiopure trimerization of 9-Ethynylphenanthrene on a chiral metal surface.

Aliaksandr V. Yakutovich, C. Pignedoli, R. Widmer, 2020, Angewandte Chemie.

Collective All‐Carbon Magnetism in Triangulene Dimers†

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2020, Angewandte Chemie.

Pascal Ruffieux Synthesis and Characterization of π ‑

C. Pignedoli, Junzhi Liu, R. Fasel, 2020 .

On-surface Synthesis of Graphene Nanoribbons with Zigzag Edge Topology References and Notes

Thomas Dienel, Leopold Talirz, Carlos Sánchez-Sánchez, 2022 .

Two-dimensional polymer formation on surfaces: insight into the roles of precursor mobility and reactivity.

C. Pignedoli, Jinming Cai, K. Müllen, 2010, Journal of the American Chemical Society.

On-surface synthesis of polyazulene with 2,6-connectivity.

Qiang Sun, C. Pignedoli, P. Ruffieux, 2019, Chemical communications.

On-surface synthesis of a nitrogen-embedded buckybowl with inverse Stone–Thrower–Wales topology

C. Pignedoli, P. Ruffieux, R. Fasel, 2018, Nature Communications.

On-surface light-induced generation of higher acenes and elucidation of their open-shell character

Hiroko Yamada, Hironobu Hayashi, Roland Widmer, 2019, Nature Communications.

Adsorption of small hydrocarbons on the three-fold PdGa surfaces: the road to selective hydrogenation.

C. Pignedoli, D. Passerone, M. Armbrüster, 2014, Journal of the American Chemical Society.

Isolated Pd sites on the intermetallic PdGa(111) and PdGa(111) model catalyst surfaces.

C. Pignedoli, D. Passerone, M. Armbrüster, 2012, Angewandte Chemie.

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

C. Pignedoli, D. Passerone, W. Schweizer, 2011 .

Ensemble Effect Evidenced by CO Adsorption on the 3-Fold PdGa Surfaces

C. Pignedoli, D. Passerone, M. Armbrüster, 2014 .

Observation of fractional edge excitations in nanographene spin chains

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2021, Nature.

Topological frustration induces unconventional magnetism in a nanographene

C. Pignedoli, K. Müllen, Xinliang Feng, 2019, Nature Nanotechnology.

Synthesis and Characterization of π-Extended Triangulene.

C. Pignedoli, K. Müllen, Xinliang Feng, 2019, Journal of the American Chemical Society.

Intraribbon heterojunction formation in ultranarrow graphene nanoribbons.

C. Pignedoli, Jinming Cai, K. Müllen, 2012, ACS nano.

On‐Surface Synthesis of Cumulene‐Containing Polymers via Two‐Step Dehalogenative Homocoupling of Dibromomethylene‐Functionalized Tribenzoazulene

Qiang Sun, C. Pignedoli, K. Müllen, 2020, Angewandte Chemie.

On-Surface Synthesis and Characterization of 9-Atom Wide Armchair Graphene Nanoribbons.

C. Pignedoli, K. Müllen, V. Meunier, 2017, ACS nano.

Tunable Band Alignment with Unperturbed Carrier Mobility of On-Surface Synthesized Organic Semiconducting Wires

J. Ortega, C. Pignedoli, Andrea Basagni, 2016, ACS nano.

On‐surface synthesis of porous graphene nanoribbons containing nonplanar [14]annulene pores

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2022, Journal of Polymer Science.

Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study

A. Catellani, A. Ruini, E. Molinari, 2008 .

Electronic Structure of Atomically Precise Graphene Nanoribbons

A. Ferretti, E. Molinari, C. Pignedoli, 2019, Handbook of Materials Modeling.

Materials Cloud, a platform for open computational science

Aliaksandr V. Yakutovich, Sebastiaan P. Huber, B. Smit, 2020, Scientific Data.

AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

Aliaksandr V. Yakutovich, B. Smit, G. Pizzi, 2020, Computational Materials Science.

Termini of bottom-up fabricated graphene nanoribbons.

C. Pignedoli, Jinming Cai, K. Müllen, 2013, Journal of the American Chemical Society.

Theory of Cs adsorption on InAs(1 1 0)

A. Catellani, A. Calzolari, R. Felice, 2001 .

Carbon induced restructuring of the Si(111) surface

A. Catellani, C. Pignedoli, C. M. Bertoni, 2004 .

First-principle investigation of the formation of Cs dimer chains upon adsorption on InAs(110)

A. Catellani, A. Calzolari, R. Felice, 2000 .

Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations.

A. Baiker, C. Pignedoli, D. Passerone, 2008, The Journal of chemical physics.

On-Surface Synthesis of Non-benzenoid Nanographenes by Oxidative Ring-Closure and Ring-Rearrangement Reactions.

C. Pignedoli, Xinliang Feng, Junzhi Liu, 2020, Journal of the American Chemical Society.

Ta2O5 polymorphs: Structural motifs and dielectric constant from first principles

W. Andreoni, C. Pignedoli, 2010 .

On-surface polyarylene synthesis by cycloaromatization of isopropyl substituents

C. Pignedoli, K. Müllen, P. Ruffieux, 2022, Nature Synthesis.

Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery

J. Sancho‐García, C. Pignedoli, K. Müllen, 2020, Nature Chemistry.

Massive Dirac Fermion Behavior in a Low Bandgap Graphene Nanoribbon Near a Topological Phase Boundary

Colin Daniels, Qiang Sun, C. Pignedoli, 2020, Advanced materials.

On-Surface Synthesis of a Nonplanar Porous Nanographene

Reinhard Berger, Kristjan Eimre, Kun Xu, 2019, Journal of the American Chemical Society.

Unconventional magnetism in a nanographene from topological frustration

C. Pignedoli, K. Müllen, Xinliang Feng, 2019 .

Tailoring Bond Topologies in Open-Shell Graphene Nanostructures.

C. Pignedoli, K. Müllen, Xinliang Feng, 2018, ACS nano.

Bowl inversion of surface-adsorbed sumanene.

Giovanni Bussi, Roman Fasel, G. Bussi, 2014, Journal of the American Chemical Society.

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

Teodoro Laino, Ralph Rieger, Klaus Müllen, 2011, Nature chemistry.

On-Surface Synthesis and Characterization of Super-nonazethrene.

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2021, The journal of physical chemistry letters.

Coupled Spin States in Armchair Graphene Nanoribbons with Asymmetric Zigzag Edge Extensions.

Qiang Sun, C. Pignedoli, K. Müllen, 2020, Nano letters.

On-Surface Synthesis of Oligo(indenoindene).

C. Pignedoli, K. Müllen, P. Ruffieux, 2020, Journal of the American Chemical Society.

On-Surface Synthesis of Indenofluorene Polymers by Oxidative Five-Membered Ring Formation.

Aliaksandr V. Yakutovich, Klaus Müllen, Aliaksandr V Yakutovich, 2018, Journal of the American Chemical Society.

Combinedab initioand kinetic Monte Carlo simulations of C diffusion on the3×3β−SiC(111)surface

A. Catellani, R. Felice, M. Righi, 2005 .

Synthesis of Atomically Precise Graphene-Based Nanostructures: A Simulation Point of View

C. Pignedoli, D. Passerone, Prashant P. Shinde, 2016 .

Electronic band dispersion of graphene nanoribbons via Fourier-transformed scanning tunneling spectroscopy

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2014, 1412.1954.

Exciton-dominated optical response of ultra-narrow graphene nanoribbons

A. Ferretti, A. Ruini, E. Molinari, 2014, Nature Communications.

Steering Large Magnetic Exchange Coupling in Nanographenes near the Closed-Shell to Open-Shell Transition.

P. Jelínek, Rodolfo Miranda, C. Pignedoli, 2023, Journal of the American Chemical Society.

Graphene nanoribbons with mixed cove-cape-zigzag edge structure

C. Pignedoli, K. Müllen, D. Passerone, 2021, Carbon.

Band gap of atomically precise graphene nanoribbons as a function of ribbon length and termination.

E. Meyer, C. Pignedoli, S. Kawai, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Stability of edge magnetism in functionalized zigzag graphene nanoribbons

C. Pignedoli, D. Passerone, P. Ruffieux, 2017 .

Surface-induced stacking transition at SiC(0001)

A. Catellani, R. Felice, M. Righi, 2002 .

On-surface activation of benzylic C-H bonds for the synthesis of pentagon-fused graphene nanoribbons

C. Pignedoli, K. Müllen, P. Ruffieux, 2021, Nano Research.

The role of van der Waals interactions in surface-supported supramolecular networks.

C. Pignedoli, D. Passerone, R. Fasel, 2010, Physical chemistry chemical physics : PCCP.

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

Manh-Thuong Nguyen, C. Pignedoli, D. Passerone, 2011, Physical chemistry chemical physics : PCCP.

On-surface synthesis of super-heptazethrene.

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2020, Chemical communications.

Growth Optimization and Device Integration of Narrow-Bandgap Graphene Nanoribbons.

Zafer Mutlu, Colin Daniels, J. Bokor, 2022, Small.

Toward GW Calculations on Thousands of Atoms.

Dorothea Golze, Jürg Hutter, Leopold Talirz, 2018, The journal of physical chemistry letters.

First-principle simulations of molecular processes at semiconductor surfaces

R. Felice, C. Pignedoli, C. M. Bertoni, 1998 .

Chemisorption sites and reaction pathways for acetylene on Si(1 1 1)-(7 × 7)

A. Catellani, R. Felice, C. Pignedoli, 2004 .

Interaction of Cl2 molecules with GaAs(110) surface

C. Pignedoli, M. Ferrario, C. M. Bertoni, 1998 .

Acetylene on Si(111) from computer simulations

A. Catellani, C. Sbraccia, C. A. Pignedoli, 2005, Comput. Phys. Commun..

Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nitride Coatings from Ab Initio Random Structure Search and Experiments.

H. Hug, C. Pignedoli, Piero Gasparotto, 2021, ACS applied materials & interfaces.

Ab initio investigation of the adsorption of organic molecules at Si(111) and Si(100) surfaces

A. Catellani, R. Felice, O. Pulci, 2003 .

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations.

A. Catellani, C. Pignedoli, C. M. Bertoni, 2005, Physical review letters.

Steering on-surface reactions through molecular steric hindrance and molecule-substrate van der Waals interactions

C. Pignedoli, Xinliang Feng, P. Ruffieux, 2022, Quantum frontiers.

Surface-supported 2D heterotriangulene polymers.

C. Pignedoli, K. Müllen, P. Ruffieux, 2011, Chemical communications.

A simple approach for describing metal-supported cyclohexaphenylene dehydrogenation

Teodoro Laino, Roman Fasel, T. Laino, 2010 .

Porous graphene as an atmospheric nanofilter.

Klaus Müllen, Roman Fasel, C. Pignedoli, 2010, Small.

Atomic-resolution differential phase contrast STEM on ferroelectric materials: A mean-field approach

C. Pignedoli, M. Rossell, R. Erni, 2020 .

Identifying Photoreaction Products in Cinnamate-Based Photoalignment Materials

Marcella Iannuzzi, C. Pignedoli, M. Ibn-Elhaj, 2014 .

Real space crystallography of a complex metallic alloy: high‐angle annular dark‐field scanning transmission electron microscopy of o‐Al4(Cr,Fe)

C. Pignedoli, D. Passerone, R. Erni, 2014 .

The Role of Metal Adatoms in a Surface‐Assisted Cyclodehydrogenation Reaction on a Gold Surface

C. Pignedoli, Xinliang Feng, C. Sánchez-Sánchez, 2022, Angewandte Chemie.

On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments

Qiang Sun, C. Pignedoli, R. Fasel, 2020, Chemical science.

Overcoming Steric Hindrance in Aryl-Aryl Homocoupling via On-Surface Copolymerization.

C. Pignedoli, K. Müllen, D. Passerone, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

C. Pignedoli, D. Passerone, P. Ruffieux, 2011 .

STUDYING THE EFFECTS OF NITROGEN AND HAFNIUM INCORPORATION INTO THE SIO2/SI(100) INTERFACE WITH REPLICA-EXCHANGE MOLECULAR DYNAMICS AND DENSITYFUNCTIONAL- THEORY CALCULATIONS

A. Curioni, W. Andreoni, C. Pignedoli, 2006 .

Graphene Nanoribbons Derived from Zigzag Edge-Encased Poly( para-2,9-dibenzo[ bc, kl]coronenylene) Polymer Chains.

Reinhard Berger, Klaus Müllen, Roman Fasel, 2019, Journal of the American Chemical Society.

Coupled Spin States in Armchair Graphene Nanoribbons with Asymmetric Zigzag Edge Extensions.

Qiang Sun, C. Pignedoli, K. Müllen, 2020, Nano letters (Print).

Ab initio simulations of homoepitaxial SiC growth.

A. Catellani, M. Righi, C. Pignedoli, 2003, Physical review letters.

Dissociative chemisorption of NH 3 molecules on GaN(0001) surfaces

R. Felice, C. Pignedoli, C. M. Bertoni, 2001 .

Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations.

A. Baiker, C. Pignedoli, D. Passerone, 2008, The Journal of chemical physics.

Room temperature metalation of 2H-TPP monolayer on iron and nickel surfaces by picking up substrate metal atoms.

C. Pignedoli, A. Verdini, A. Goldoni, 2012, ACS nano.

Electronic structure of atomically precise graphene nanoribbons.

C. Pignedoli, P. Ruffieux, R. Fasel, 2012, ACS nano.

On-surface light-induced generation of higher acenes and elucidation of their open-shell character

C. Pignedoli, P. Ruffieux, R. Fasel, 2019, Nature Communications.

Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111).

Aliaksandr V. Yakutovich, A. Tkatchenko, C. Pignedoli, 2017, Journal of the American Chemical Society.

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

C. Pignedoli, D. Passerone, Manh‐Thuong Nguyen, 2011, Physical chemistry chemical physics : PCCP.

On-surface synthesis of graphene nanoribbons with zigzag edge topology

C. Pignedoli, K. Müllen, Xinliang Feng, 2015, Nature.

Chirality transfer in 1D self-assemblies: influence of H-bonding vs metal coordination between dicyano[7]helicene enantiomers.

F. Diederich, M. Schär, C. Pignedoli, 2013, Journal of the American Chemical Society.

Termini of bottom-up fabricated graphene nanoribbons.

C. Pignedoli, Jinming Cai, K. Müllen, 2013, Journal of the American Chemical Society.

Intraribbon heterojunction formation in ultranarrow graphene nanoribbons.

C. Pignedoli, Jinming Cai, K. Müllen, 2012, ACS nano.

Tailoring low-dimensional organic semiconductor nanostructures.

C. Pignedoli, D. Passerone, R. Fasel, 2009, Nano letters.

Kinetic Monte Carlo simulations of C diffusion on sqrt(3)×sqrt(3) beta-SiC(111) based on ab initio calculations

A. Catellani, C. A. Pignedoli, R. Di Felice, 2005, Comput. Phys. Commun..

Surface effects in GaN growth

R. Felice, C. Pignedoli, C. M. Bertoni, 2003 .

Exciton-dominated optical response of ultra-narrow graphene nanoribbons

A. Ferretti, A. Ruini, E. Molinari, 2014, Nature Communications.

Unraveling the Oxidation of a Graphitic Lattice: Structure Determination of Oxygen Clusters.

N. Marzari, C. Pignedoli, K. Agrawal, 2023, Physical review letters.