Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements

Torricelli : A software to determine atomic spatial distributions from normal incidence x-ray standing wave data

(2018) F.C. Bocquet et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermally Induced Transformation of Nonhexagonal Carbon Rings in Graphene-like Nanoribbons

(2018) Meizhuang Liu et al.   Journal of Physical Chemistry C

Tailoring Bond Topologies in Open-Shell Graphene Nanostructures

(2018) Shantanu Mishra et al.   ACS Nano

Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization

(2017) Katharina Diller et al.   JOURNAL OF CHEMICAL PHYSICS

On-Surface Route for Producing Planar Nanographenes with Azulene Moieties

(2017) Jeremy Hieulle et al.   NANO LETTERS

Azulene-Fused Linear Polycyclic Aromatic Hydrocarbons with Small Bandgap, High Stability, and Reversible Stimuli Responsiveness

(2017) Masahito Murai et al.   ORGANIC LETTERS

Strain-induced skeletal rearrangement of a polycyclic aromatic hydrocarbon on a copper surface

(2017) Akitoshi Shiotari et al.   Nature Communications

Application of Azulene in Constructing Organic Optoelectronic Materials: New Tricks for an Old Dog

(2017) Hanshen Xin et al.   ChemPlusChem

Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast

(2016) Yuji Yamaguchi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitative model studies for interfaces in organic electronic devices

(2016) J Michael Gottfried   NEW JOURNAL OF PHYSICS

Thermal and Electronic Fluctuations of Flexible Adsorbed Molecules: Azobenzene on Ag(111)

(2016) Reinhard J. Maurer et al.   PHYSICAL REVIEW LETTERS

Surface-Catalyzed C–C Covalent Coupling Strategies toward the Synthesis of Low-Dimensional Carbon-Based Nanostructures

(2015) Qitang Fan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Many-body dispersion effects in the binding of adsorbates on metal surfaces

(2015) Reinhard J. Maurer et al.   JOURNAL OF CHEMICAL PHYSICS

Heteromolecular metal–organic interfaces: Electronic and structural fingerprints of chemical bonding

(2015) Benjamin Stadtmüller et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Line-of-sight mass spectrometry: principles and practice

(2015) Stephen G. Hessey et al.   SURFACE AND INTERFACE ANALYSIS

A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

(2015) Jess Wellendorff et al.   SURFACE SCIENCE

Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach

(2015) Hye Sook Moon et al.   Carbon Letters

Analysis of the near-edge X-ray-absorption fine-structure of anthracene: A combined theoretical and experimental study

(2014) Michael Klues et al.   JOURNAL OF CHEMICAL PHYSICS

The Complex Polymorphism and Thermodynamic Behavior of a Seemingly Simple System: Naphthalene on Cu(111)

(2014) Roman Forker et al.   LANGMUIR

Contrast Formation in Kelvin Probe Force Microscopy of Single π-Conjugated Molecules

(2014) Bruno Schuler et al.   NANO LETTERS

Growth of epitaxial graphene: Theory and experiment

(2014) H. Tetlow et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)

(2014) H. Vita et al.   Scientific Reports

How Surface Bonding and Repulsive Interactions Cause Phase Transformations: Ordering of a Prototype Macrocyclic Compound on Ag(111)

(2013) Felix Bischoff et al.   ACS Nano

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT)

(2013) Reinhard J. Maurer et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy

(2013) Bruno Schuler et al.   PHYSICAL REVIEW LETTERS

Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology

(2012) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic Structure of an Organic/Metal Interface: Pentacene/Cu(110)

(2012) Kathrin Müller et al.   Journal of Physical Chemistry C

The nature of strength enhancement and weakening by pentagon–heptagon defects in graphene

(2012) Yujie Wei et al.   NATURE MATERIALS

Imaging the charge distribution within a single molecule

(2012) Fabian Mohn et al.   Nature Nanotechnology

Grains and grain boundaries in single-layer graphene atomic patchwork quilts

(2011) Pinshane Y. Huang et al.   NATURE

Supramolecular Self-Assembly Driven by Electrostatic Repulsion: The 1D Aggregation of Rubrene Pentagons on Au(111)

(2010) Giulia Tomba et al.   ACS Nano

Structural Defects in Graphene

(2010) Florian Banhart et al.   ACS Nano

Density functional theory study on the electron spectra of naphthalene and azulene vapours

(2010) Delano P. Chong   CANADIAN JOURNAL OF CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Novel Growth of Naphthalene Overlayer on Cu(111) Studied by STM, LEED, and 2PPE

(2010) Takashi Yamada et al.   Journal of Physical Chemistry C

Epitaxial Graphene on Cu(111)

(2010) Li Gao et al.   NANO LETTERS

Graphene Films with Large Domain Size by a Two-Step Chemical Vapor Deposition Process

(2010) Xuesong Li et al.   NANO LETTERS

Structural, chemical, and dynamical trends in graphene grain boundaries

(2010) Sami Malola et al.   PHYSICAL REVIEW B

Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene

(2010) R. Grantab et al.   SCIENCE

First-principles calculation of spectral features, chemical shift and absolute threshold of ELNES and XANES using a plane wave pseudopotential method

(2009) Teruyasu Mizoguchi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Room-temperature ferromagnetism in graphite driven by two-dimensional networks of point defects

(2009) J. Červenka et al.   Nature Physics

Structural and electronic properties of grain boundaries in graphite: Planes of periodically distributed point defects

(2009) J. Červenka et al.   PHYSICAL REVIEW B

Measuring the Charge State of an Adatom with Noncontact Atomic Force Microscopy

(2009) L. Gross et al.   SCIENCE

The Larger Acenes: Versatile Organic Semiconductors

(2007) John E. Anthony   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION