Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume

Can Hydrogen Catalyze Transitions between h-BN and c-BN in Volume Plasma?

(2017) Predrag Krstic et al.   Journal of Physical Chemistry C

A path for synthesis of boron-nitride nanostructures in volume of arc plasma

(2017) Longtao Han et al.   NANOTECHNOLOGY

Catalytic CVD synthesis of boron nitride and carbon nanomaterials – synergies between experiment and theory

(2017) Ben McLean et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stable synthesis of few-layered boron nitride nanotubes by anodic arc discharge

(2017) Yao-Wen Yeh et al.   Scientific Reports

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation

(2016) Hiroaki Nishizawa et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Possible mechanism of BN fullerene formation from a boron cluster: Density-functional tight-binding molecular dynamics simulations

(2016) Y. Ohta   JOURNAL OF COMPUTATIONAL CHEMISTRY

Catalysts for chirality selective synthesis of single-walled carbon nanotubes

(2015) Hong Wang et al.   CARBON

Recent Progress on Fabrications and Applications of Boron Nitride Nanomaterials: A Review

(2015) Xiang-Fen Jiang et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review

(2015) A J Page et al.   REPORTS ON PROGRESS IN PHYSICS

Hydrogen-Catalyzed, Pilot-Scale Production of Small-Diameter Boron Nitride Nanotubes and Their Macroscopic Assemblies

(2014) Keun Su Kim et al.   ACS Nano

Scaled Synthesis of Boron Nitride Nanotubes, Nanoribbons, and Nanococoons Using Direct Feedstock Injection into an Extended-Pressure, Inductively-Coupled Thermal Plasma

(2014) Aidin Fathalizadeh et al.   NANO LETTERS

Revealing the Dual Role of Hydrogen for Growth Inhibition and Defect Healing in Polycyclic Aromatic Hydrocarbon Formation: QM/MD Simulations

(2013) Hai-Bei Li et al.   Journal of Physical Chemistry Letters

Effects of Molecular Dynamics Thermostats on Descriptions of Chemical Nonequilibrium

(2012) Alister J. Page et al.   Journal of Chemical Theory and Computation

Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations

(2011) Ying Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Boron Nitride Nanotubes and Nanosheets

(2010) Dmitri Golberg et al.   ACS Nano

Boron-nitride and boron-carbonitride nanotubes: synthesis, characterization and theory

(2010) Raul Arenal et al.   ADVANCES IN PHYSICS

Formation mechanism of polycyclic aromatic hydrocarbons in benzene combustion: Quantum chemical molecular dynamics simulations

(2010) Biswajit Saha et al.   JOURNAL OF CHEMICAL PHYSICS

QM/MD Simulation of SWNT Nucleation on Transition-Metal Carbide Nanoparticles

(2010) Alister J. Page et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Boron nitride nanotubes

(2010) Chunyi Zhi et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

The physics of boron nitride nanotubes

(2010) Marvin L. Cohen et al.   PHYSICS TODAY

Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations

(2009) Masato Kobayashi et al.   JOURNAL OF CHEMICAL PHYSICS

Over 1.0mm-long boron nitride nanotubes

(2008) Hua Chen et al.   CHEMICAL PHYSICS LETTERS

Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations

(2008) Masato Kobayashi et al.   JOURNAL OF CHEMICAL PHYSICS

Boron nitride (BN) and BN composites for high-temperature applications

(2007) Jens Eichler et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY