Skip to main content
AkademIndex

Services

← Back to work

Works cited by this work

47 works

Work: Strain-tunable gas sensing potential of Janus B2SeTe monolayers toward NO2, NH3, CO2, and CH2O: A DFT study

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Article1996183 citations
    ABI

  2. Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Article199670 citations
    ABI

  3. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Article201069 citations
    ABI

  4. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

    Georg Kresse, J. Furthmüller

    Article199637 citations
    ABI

  5. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Article201131 citations
    ABI

  6. <i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data

    Koichi Momma, Fujio Izumi

    Article201121 citations
    ABI

  7. <i>Ab initio</i>molecular dynamics for liquid metals

    Georg Kresse, J. Häfner

    Article199320 citations
    ABI

  8. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

    Qing Hua Wang, Kourosh Kalantar‐Zadeh, András Kis +2

    Review article201213 citations
    ABI

  9. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Article198513 citations
    ABI

  10. 2D transition metal dichalcogenides

    Sajedeh Manzeli, Dmitry Ovchinnikov, Diego Pasquier +2

    Review article201711 citations
    ABI

  11. A unified formulation of the constant temperature molecular dynamics methods

    Shūichi Nosé

    Article19849 citations
    ABI

  12. A molecular dynamics method for simulations in the canonical ensemble

    Shūichi Nosé

    Article19849 citations
    ABI

  13. <i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

    Georg Kresse, J. Häfner

    Article19948 citations
    ABI

  14. The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets

    Manish Chhowalla, Hyeon Suk Shin, Goki Eda +3

    Article20138 citations
    ABI

  15. Gas sensing in 2D materials

    Shengxue Yang, Chengbao Jiang, Su‐Huai Wei

    Article20178 citations
    ABI

  16. Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

    Alexander Stukowski

    Article20095 citations
    ABI

  17. Calculation of combustion air required for burning solid fuels (coal / biomass / solid waste) and analysis of flue gas composition

    Lizica Simona Paraschiv, Alexandru Șerban, Spiru Paraschiv

    Article20193 citations
    ABI

  18. Untitled

    Other3 citations
    ABI

  19. Untitled

    Other3 citations
    ABI

  20. Untitled

    Other3 citations
    ABI

  21. Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

    Bhishma Karki, Ali B.M. Ali, G. PadmaPriya +8

    ArticleGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20262 citations
    ABI

  22. Untitled

    Other2 citations
    ABI

  23. Untitled

    Other2 citations
    ABI

  24. Untitled

    Other2 citations
    ABI

  25. Untitled

    Other2 citations
    ABI