Danil W. Boukhvalov

Overview

Best Publications

• Control of graphene's properties by reversible hydrogenation: Evidence for graphane

  D. C. Elias;R. R. Nair;T. M. G. Mohiuddin;S. V. Morozov

  5030
  Citations

• Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations

  D. W. Boukhvalov;M. I. Katsnelson;A. I. Lichtenstein

  1032
  Citations

• Proton transport through one-atom-thick crystals

  S. Hu;M. Lozada-Hidalgo;F. C. Wang;A. Mishchenko

  906
  Citations

• Modeling of Graphite Oxide

  Danil W. Boukhvalov;Mikhail I. Katsnelson

  873
  Citations

• Chemical functionalization of graphene with defects.

  D. W. Boukhvalov;M. I. Katsnelson

  663
  Citations

• Chemical functionalization of graphene

  D W Boukhvalov;M I Katsnelson

  559
  Citations

• Origin of Anomalous Water Permeation through Graphene Oxide Membrane

  Danil W Boukhvalov;Mikhail I Katsnelson;Young-Woo Son

  252
  Citations

• Enhancement of Chemical Activity in Corrugated Graphene

  Danil W. Boukhvalov;Mikhail I. Katsnelson

  250
  Citations

• Tuning the gap in bilayer graphene using chemical functionalization: Density functional calculations

  D. W. Boukhvalov;M. I. Katsnelson

  249
  Citations

• Selective surface functionalization at regions of high local curvature in graphene

  Qingzhi Wu;Yaping Wu;Yufeng Hao;Jianxin Geng

  178
  Citations

• Metal organic frameworks as sorption media for volatile and semi-volatile organic compounds at ambient conditions.

  Kowsalya Vellingiri;Jan E. Szulejko;Pawan Kumar;Eilhann E. Kwon

  166
  Citations

• Triple Functions of Ni(OH)2 on the Surface of WN Nanowires Remarkably Promoting Electrocatalytic Activity in Full Water Splitting

  Cuncai Lv;Cuncai Lv;Xiaobo Wang;Linjie Gao;Aijian Wang

  159
  Citations

• Direct experimental evidence of metal-mediated etching of suspended graphene.

  Quentin M. Ramasse;Recep Zan;Ursel Bangert;Danil W. Boukhvalov

  158
  Citations

• A self-healing elastomer based on an intrinsic non-covalent cross-linking mechanism

  Jun Chen;Fanzhu Li;Yanlong Luo;Yijun Shi

  153
  Citations

• A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms by using DFT Methods

  Danil W. Boukhvalov;Daniel R. Dreyer;Christopher W. Bielawski;Young Woo Son

  151
  Citations

• Destruction of graphene by metal adatoms

  D. W. Boukhvalov;M. I. Katsnelson

  135
  Citations

• Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling.

  Danil W. Boukhvalov;Young-Woo Son

  134
  Citations

• The influence of chemical reactivity of surface defects on ambient-stable InSe-based nanodevices.

  A. Politano;G. Chiarello;R. Samnakay;G. Liu

  128
  Citations

• XPS spectra as a tool for studying photochemical and thermal degradation in APbX3 hybrid halide perovskites

  Ivan S. Zhidkov;Danil W. Boukhvalov;Danil W. Boukhvalov;Azat F. Akbulatov;Lyubov A. Frolova;Lyubov A. Frolova

  124
  Citations

• Effect of Co and O defects on the magnetism in Co-doped ZnO: Experiment and theory

  G. S. Chang;E. Z. Kurmaev;D. W. Boukhvalov;L. D. Finkelstein

  119
  Citations

• Chemical modifications and stability of phosphorene with impurities: a first principles study.

  D. W. Boukhvalov;A. N. Rudenko;D. A. Prishchenko;V. G. Mazurenko

  112
  Citations

• The sensitive detection of formaldehyde in aqueous media using zirconium-based metal organic frameworks

  Kowsalya Vellingiri;Akash Deep;Ki Hyun Kim;Danil W. Boukhvalov

  110
  Citations

• Switching the Nonlinear Optical Absorption of Titanium Carbide MXene by Modulation of the Surface Terminations.

  Unknown

  109
  Citations

• Adsorptive removal of an eight-component volatile organic compound mixture by Cu-, Co-, and Zr-metal-organic frameworks: Experimental and theoretical studies

  Kumar Vikrant;Ki Hyun Kim;Vanish Kumar;Dimitrios A. Giannakoudakis

  108
  Citations

• Direct Experimental Evidence of Metal-Mediated Etching of Suspended Graphene

  Quentin M. Ramasse;Recep Zan;Ursel Bangert;Danil W. Boukhvalov

  15
  Citations