Re-evaluating how charge transfer modifies the conformation of adsorbed molecules

Probing the interplay between geometric and electronic structure in a two-dimensional K–TCNQ charge transfer network

(2017) P. J. Blowey et al.   FARADAY DISCUSSIONS

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

Probing the interplay between geometric and electronic structure in a two-dimensional K–TCNQ charge transfer network

(2017) P. J. Blowey et al.   FARADAY DISCUSSIONS

Solution-Processed p-Dopant as Interlayer in Polymer Solar Cells

(2016) F. Guillain et al.   ACS Applied Materials & Interfaces

Two-dimensional core–shell donor–acceptor assemblies at metal–organic interfaces promoted by surface-mediated charge transfer

(2016) A. Della Pia et al.   Nanoscale

Investigation of sodium insertion into tetracyanoquinodimethane (TCNQ): results for a TCNQ thin film obtained by a surface science approach

(2016) R. Precht et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

(2016) Reinhard J. Maurer et al.   PROGRESS IN SURFACE SCIENCE

Understanding the self-assembly of TCNQ on Cu(111): a combined study based on scanning tunnelling microscopy experiments and density functional theory simulations

(2016) Daniele Stradi et al.   RSC Advances

Trapping of Charged Gold Adatoms by Dimethyl Sulfoxide on a Gold Surface

(2015) Zhijing Feng et al.   ACS Nano

Temperature-controlled metal/ligand stoichiometric ratio in Ag-TCNE coordination networks

(2015) Jonathan Rodríguez-Fernández et al.   JOURNAL OF CHEMICAL PHYSICS

The geometric and electronic structure of TCNQ and TCNQ+Mn on Ag(001) and Cu(001) surfaces

(2015) V. Feyer et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Electronic structure and electrode properties of tetracyanoquinodimethane (TCNQ): a surface science investigation of lithium intercalation into TCNQ

(2015) Ruben Precht et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

van der Waals forces in density functional theory: a review of the vdW-DF method

(2015) Kristian Berland et al.   REPORTS ON PROGRESS IN PHYSICS

Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces

(2014) Wei Liu et al.   ACCOUNTS OF CHEMICAL RESEARCH

Atypical charge redistribution over a charge-transfer monolayer on a metal

(2013) T R Umbach et al.   NEW JOURNAL OF PHYSICS

Photoconductive response in organic charge transfer interfaces with high quantum efficiency

(2013) Helena Alves et al.   Nature Communications

Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples

(2013) João P. Prates Ramalho et al.   RSC Advances

Layer-by-Layer Graphene/TCNQ Stacked Films as Conducting Anodes for Organic Solar Cells

(2012) Chang-Lung Hsu et al.   ACS Nano

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

(2012) Jiří Klimeš et al.   JOURNAL OF CHEMICAL PHYSICS

Bonding and Charge Transfer in Metal–Organic Coordination Networks on Au(111) with Strong Acceptor Molecules

(2012) Marisa N. Faraggi et al.   Journal of Physical Chemistry C

Back Cover: Simulating the organic-molecule/metal interface TCNQ/Au(111) (Phys. Status Solidi B 9/2011)

(2012) José I. Martínez et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems

(2012) Victor G. Ruiz et al.   PHYSICAL REVIEW LETTERS

Stereoselectivity and electrostatics in charge-transfer Mn- and Cs-TCNQ4 networks on Ag(100)

(2012) Nasiba Abdurakhmanova et al.   Nature Communications

Molecular Self-Assembly at Solid Surfaces

(2011) Roberto Otero et al.   ADVANCED MATERIALS

Hierarchical Assembly and Reticulation of Two-Dimensional Mn- and Ni–TCNQx (x = 1, 2, 4) Coordination Structures on a Metal Surface

(2011) Tzu-Chun Tseng et al.   Journal of Physical Chemistry C

Reactive rearrangements of step atoms by adsorption and asymmetric electronic states of tetrafluoro-tetracyanoquinodimethane on Cu(100)

(2011) Tetsuo Katayama et al.   PHYSICAL REVIEW B

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ)2Mn Assembled on Cu(100)

(2010) X. Q. Shi et al.   Journal of Physical Chemistry C

Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces

(2010) Tzu-Chun Tseng et al.   Nature Chemistry

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

Interface Engineering: An Effective Approach toward High-Performance Organic Field-Effect Transistors

(2009) Chong-an Di et al.   ACCOUNTS OF CHEMICAL RESEARCH

Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces

(2009) Slawomir Braun et al.   ADVANCED MATERIALS

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Efficient modification of Cu electrode with nanometer-sized copper tetracyanoquinodimethane for high performance organic field-effect transistors

(2008) Chong-an Di et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strongly Reshaped Organic-Metal Interfaces: Tetracyanoethylene on Cu(100)

(2008) Stéphane Bedwani et al.   PHYSICAL REVIEW LETTERS