Computational studies on the interactions of glycine amino acid with graphene, h-BN and h-SiC monolayers

Preparation and Exceptional Mechanical Properties of Bone-Mimicking Size-Tuned Graphene Oxide@Carbon Nanotube Hybrid Paper

(2016) Jun Young Oh et al.   ACS Nano

Improved In Vitro and In Vivo Biocompatibility of Graphene Oxide through Surface Modification: Poly(Acrylic Acid)-Functionalization is Superior to PEGylation

(2016) Ming Xu et al.   ACS Nano

Enhanced human bone marrow mesenchymal stem cell chondrogenic differentiation in electrospun constructs with carbon nanomaterials

(2016) Benjamin Holmes et al.   CARBON

Pseudo-Jahn–Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer

(2016) Chandra Chowdhury et al.   Journal of Physical Chemistry Letters

Biomimetic synthesis of highly biocompatible gold nanoparticles with amino acid-dithiocarbamate as a precursor for SERS imaging

(2016) Li Li et al.   NANOTECHNOLOGY

Interactions and effects of BSA-functionalized single-walled carbon nanotubes on different cell lines

(2016) Laura Muzi et al.   NANOTECHNOLOGY

Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correction

(2016) Preeti Singla et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene scaffolds in progressive nanotechnology/stem cell-based tissue engineering of the nervous system

(2016) Omid Akhavan   Journal of Materials Chemistry B

Capping Black Phosphorene by h-BN Enhances Performances in Anodes for Li and Na Ion Batteries

(2016) Chandra Chowdhury et al.   ACS Energy Letters

ATP-responsive DNA-graphene hybrid nanoaggregates for anticancer drug delivery

(2015) Ran Mo et al.   BIOMATERIALS

Subchronic Toxicity and Cardiovascular Responses in Spontaneously Hypertensive Rats after Exposure to Multiwalled Carbon Nanotubes by Intratracheal Instillation

(2015) Rui Chen et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Intrinsic Ladders of Affinity for Amino-Acid-Analogues on Boron Nitride Nanomaterials: A B3LYP-D2* Periodic Study

(2015) Albert Rimola   Journal of Physical Chemistry C

Highly Active and Stable Hybrid Catalyst of Cobalt-Doped FeS2 Nanosheets–Carbon Nanotubes for Hydrogen Evolution Reaction

(2015) Di-Yan Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical insight into hydrogen adsorption onto graphene: a first-principles B3LYP-D3 study

(2015) M. Darvish Ganji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphene-like carbide derived carbon for high-power supercapacitors

(2015) Peng-Cheng Gao et al.   Nano Energy

Noncovalent Molecular Doping of Two-Dimensional Materials

(2015) Bo Cai et al.   ChemNanoMat

Why Does Substitution of Thymine by 6-Ethynylpyridone Increase the Thermostability of DNA Double Helices?

(2014) Antarip Halder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A DFT study on the interaction between glycine molecules/radicals and the (8, 0) SiCNT

(2014) Kefu Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structures and Chemical Properties of Silicene: Unlike Graphene

(2013) Deepthi Jose et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanical properties and biomedical applications of a nanotube hydroxyapatite-reduced graphene oxide composite

(2013) S. Baradaran et al.   CARBON

Nanotubes in biological applications

(2013) Ruchir V Mundra et al.   CURRENT OPINION IN BIOTECHNOLOGY

Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect

(2013) N. Dragneva et al.   JOURNAL OF CHEMICAL PHYSICS

Physisorption of DNA Nucleobases on h-BN and Graphene: vdW-Corrected DFT Calculations

(2013) Jun-Ho Lee et al.   Journal of Physical Chemistry C

What Stabilizes the LinPn Inorganic Double Helices?

(2013) A. K. Jissy et al.   Journal of Physical Chemistry Letters

Design and Applications of Noncanonical DNA Base Pairs

(2013) A. K. Jissy et al.   Journal of Physical Chemistry Letters

Environmental applications using graphene composites: water remediation and gas adsorption

(2013) K. Christian Kemp et al.   Nanoscale

Carbon nanotubes functionalized with fibroblast growth factor accelerate proliferation of bone marrow-derived stromal cells and bone formation

(2013) Eri Hirata et al.   NANOTECHNOLOGY

Analysis of van der Waals density functional components: Binding and corrugation of benzene and C60on boron nitride and graphene

(2013) Kristian Berland et al.   PHYSICAL REVIEW B

Graphene-analogous low-dimensional materials

(2013) Qing Tang et al.   PROGRESS IN MATERIALS SCIENCE

Biofunctional magnetic nanotube probe for recognition and separation of specific bacteria from a mixed culture

(2013) Vinod Kumar et al.   RSC Advances

Transport properties of two finite armchair graphene nanoribbons

(2013) Luis Rosales et al.   Nanoscale Research Letters

RGD-Peptide Functionalized Graphene Biomimetic Live-Cell Sensor for Real-Time Detection of Nitric Oxide Molecules

(2012) Chun Xian Guo et al.   ACS Nano

Preparation and characterization of chitosan–carbon nanotube scaffolds for bone tissue engineering

(2012) Jayachandran Venkatesan et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Light-Emitting Two-Dimensional Ultrathin Silicon Carbide

(2012) S. S. Lin   Journal of Physical Chemistry C

DFT Studies on the Interaction of an Open-Ended Single-Walled Aluminum Nitride Nanotube (AlNNT) with Gas Molecules

(2012) Wen-guang Liu et al.   Journal of Physical Chemistry C

Graphene-based wireless bacteria detection on tooth enamel

(2012) Manu S. Mannoor et al.   Nature Communications

Theoretical study on the possibility of using silicon carbide nanotubes as dehydrogenation catalysts for ammonia–borane

(2012) Fenglei Cao et al.   RSC Advances

In-plane and tunneling pressure sensors based on graphene/hexagonal boron nitride heterostructures

(2011) Yang Xu et al.   APPLIED PHYSICS LETTERS

Recent progress in hybrid materials science

(2011) Clément Sanchez et al.   CHEMICAL SOCIETY REVIEWS

An overlap fitted chain of spheres exchange method

(2011) Róbert Izsák et al.   JOURNAL OF CHEMICAL PHYSICS

Flattening a puckered cyclohexasilane ring by suppression of the pseudo-Jahn–Teller effect

(2011) Konstantin Pokhodnya et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of DNA/RNA nucleobases on hexagonal boron nitride sheet: an ab initio study

(2011) Qing Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Boron Nitride Nanotubes and Nanosheets

(2010) Dmitri Golberg et al.   ACS Nano

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

Tin-oxide-coated single-walled carbon nanotube bundles supporting platinum electrocatalysts for direct ethanol fuel cells

(2010) Ryan S Hsu et al.   NANOTECHNOLOGY

Constraint of DNA on Functionalized Graphene Improves its Biostability and Specificity

(2010) Zhiwen Tang et al.   Small

Non-covalent functionalization of graphene sheets by sulfonated polyaniline

(2009) Hua Bai et al.   CHEMICAL COMMUNICATIONS

Honeycomb Carbon: A Review of Graphene

(2009) Matthew J. Allen et al.   CHEMICAL REVIEWS

Covalent polymer functionalization of graphene nanosheets and mechanical properties of composites

(2009) Ming Fang et al.   JOURNAL OF MATERIALS CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Prediction of the N−H and O−H Bonds Cleavage Catalyzed by the Single-Walled Silicon Carbide Nanotube

(2009) Jing-xiang Zhao et al.   Journal of Physical Chemistry C

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer

(2008) Michal Pitoňák et al.   CHEMPHYSCHEM

On the Importance of Electron Correlation Effects for the Intramolecular Stacking Geometry of a Bis-Thiophene Derivative

(2008) Kristýna Pluháčková et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-principles study of physisorption of nucleic acid bases on small-diameter carbon nanotubes

(2008) S Gowtham et al.   NANOTECHNOLOGY