scholarly journals Correction: Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride

2017 ◽  
Vol 19 (16) ◽  
pp. 10698-10698 ◽  
Author(s):  
J. M. H. Kroes ◽  
A. Fasolino ◽  
M. I. Katsnelson
Keyword(s):  
Boron Nitride ◽  
Vibrational Spectra ◽  
Hexagonal Boron Nitride ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride’ by J. M. H. Kroes et al., Phys. Chem. Chem. Phys., 2016, 18, 19359–19367.

scholarly journals Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride

2016 ◽  
Vol 18 (28) ◽  
pp. 19359-19367 ◽  
Author(s):  
J. M. H. Kroes ◽  
A. Fasolino ◽  
M. I. Katsnelson
Keyword(s):  
Boron Nitride ◽  
Vibrational Spectra ◽  
Hexagonal Boron Nitride ◽  
Hydrogen Chemisorption ◽  
Full Coverage ◽  
Low Concentrations

We study hydrogen chemisorption on hexagonal Boron Nitride (h-BN) at full coverage and low concentrations and provide new insights to understand and characterize hydrogenated h-BN.

Vibrational spectra of the monolayer films of hexagonal boron nitride and graphite on faceted Ni(755)

1999 ◽  
Vol 427-428 ◽  
pp. 97-101 ◽  
Author(s):  
E. Rokuta ◽  
Y. Hasegawa ◽  
A. Itoh ◽  
K. Yamashita ◽  
T. Tanaka ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Vibrational Spectra ◽  
Hexagonal Boron Nitride ◽  
Monolayer Films

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

2018 ◽  
Author(s):  
Tim Gould
Keyword(s):  
Density Functional ◽  
Chem Phys ◽  
Comprehensive Analysis ◽  
Genetic Approach ◽  
Representative Subset ◽  
Phys Chem Chem Phys

The GMTKN55 benchmarking protocol introduced by [Goerigk et al., Phys. Chem. Chem. Phys., 2017, 19, 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55's 1500 benchmarking values require energies for around 2500 systems to be calculated, making it a costly exercise. This manuscript introduces three subsets of GMTKN55, consisting of 30, 100 and 150 systems, as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach, and consequently can reproduce key results of the full GMTKN55 database, including ranking of approximations.

Marcus-Hush Theory Revealed by Electron Tunneling Through Hexagonal Boron Nitride

2019 ◽  
Author(s):  
Matěj Velický ◽  
Sheng Hu ◽  
Colin R. Woods ◽  
Peter S. Toth ◽  
Viktor Zólyomi ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Boron Nitride ◽  
Electron Tunneling ◽  
Hexagonal Boron Nitride ◽  
Large Body ◽  
Liquid Solution ◽  
Limiting Current ◽  
Electron Transfer Rate Constant ◽  
Electrochemical Parameters ◽  
Voltammetric Measurements

Marcus-Hush theory of electron transfer is one of the pillars of modern electrochemistry with a large body of supporting experimental evidence presented to date. However, some predictions, such as the electrochemical behavior at microdisk electrodes, remain unverified. Herein, we present a study of electron tunneling across a hexagonal boron nitride barrier between a graphite electrode and redox levels in a liquid solution. This was achieved by the fabrication of microdisk electrodes with a typical diameter of 5 µm. Analysis of voltammetric measurements, using two common redox mediators, yielded several electrochemical parameters, including the electron transfer rate constant, limiting current, and transfer coefficient. They show a significant departure from the Butler-Volmer behavior in a clear manifestation of the Marcus-Hush theory of electron transfer. In addition, our system provides a novel experimental platform, which could be applied to address a number of scientific problems such as identification of reaction mechanisms, surface modification, or long-range electron transfer.

scholarly journals Self-Sensitization and Photo-Polymerization of Diacetylene Molecules Self-Assembled on a Hexagonal-Boron Nitride Nanosheet

Polymers ◽  
2018 ◽  
Vol 10 (2) ◽  
pp. 206 ◽  
Author(s):  
Elisseos Verveniotis ◽  
Yuji Okawa ◽  
Kenji Watanabe ◽  
Takashi Taniguchi ◽  
Takaaki Taniguchi ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Photo Polymerization ◽  
Boron Nitride Nanosheet ◽  
Self Assembled

scholarly journals First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride

2021 ◽  
Vol 125 (6) ◽  
pp. 1325-1335 ◽  
Author(s):  
Cesar Jara ◽  
Tomáš Rauch ◽  
Silvana Botti ◽  
Miguel A. L. Marques ◽  
Ariel Norambuena ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Single Photon ◽  
Hexagonal Boron Nitride ◽  
Carbon Clusters ◽  
Single Photon Emitters

scholarly journals Stimulated Emission Depletion Microscopy with Color Centers in Hexagonal Boron Nitride

ACS Photonics ◽  
2021 ◽  
Author(s):  
Prince Khatri ◽  
Ralph Nicholas Edward Malein ◽  
Andrew J. Ramsay ◽  
Isaac J. Luxmoore
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Stimulated Emission ◽  
Color Centers ◽  
Stimulated Emission Depletion
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