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47 ta ish

Ish: 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

    Maqola1996196 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199679 iqtibos
    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

    Maqola201076 iqtibos
    ABI

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

    Georg Kresse, J. Furthmüller

    Maqola199638 iqtibos
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

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

    Georg Kresse, J. Häfner

    Maqola199325 iqtibos
    ABI

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

    Koichi Momma, Fujio Izumi

    Maqola201122 iqtibos
    ABI

  8. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Maqola198514 iqtibos
    ABI

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

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

    Sharh maqolaOchiq kirish201213 iqtibos
    ABI

  10. 2D transition metal dichalcogenides

    Sajedeh Manzeli, Dmitry Ovchinnikov, Diego Pasquier +2

    Sharh maqolaOchiq kirish201711 iqtibos
    ABI

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

    Georg Kresse, J. Häfner

    Maqola19949 iqtibos
    ABI

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

    Shūichi Nosé

    MaqolaOchiq kirish19849 iqtibos
    ABI

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

    Shūichi Nosé

    Maqola19849 iqtibos
    ABI

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

    Manish Chhowalla, Hyeon Suk Shin, Goki Eda +3

    Maqola20138 iqtibos
    ABI

  15. Gas sensing in 2D materials

    Shengxue Yang, Chengbao Jiang, Su‐Huai Wei

    Maqola20178 iqtibos
    ABI

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

    Alexander Stukowski

    MaqolaOchiq kirish20096 iqtibos
    ABI

  17. Sarlavhasiz

    Boshqa4 iqtibos
    ABI

  18. 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

    MaqolaGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20263 iqtibos
    ABI

  19. 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

    MaqolaOchiq kirish20193 iqtibos
    ABI

  20. Sarlavhasiz

    BoshqaOchiq kirish3 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa3 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  24. Sarlavhasiz

    BoshqaOchiq kirish2 iqtibos
    ABI

  25. Sarlavhasiz

    BoshqaOchiq kirish2 iqtibos
    ABI