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Иш: 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

    Мақола1996183 иқтибос
    ABI

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

    Georg Kresse, J. Furthmüller

    Мақола199670 иқтибос
    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

    Мақола201069 иқтибос
    ABI

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

    Georg Kresse, J. Furthmüller

    Мақола199637 иқтибос
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Мақола201131 иқтибос
    ABI

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

    Koichi Momma, Fujio Izumi

    Мақола201121 иқтибос
    ABI

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

    Georg Kresse, J. Häfner

    Мақола199320 иқтибос
    ABI

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

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

    Шарҳ мақола201213 иқтибос
    ABI

  9. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Мақола198513 иқтибос
    ABI

  10. 2D transition metal dichalcogenides

    Sajedeh Manzeli, Dmitry Ovchinnikov, Diego Pasquier +2

    Шарҳ мақола201711 иқтибос
    ABI

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

    Shūichi Nosé

    Мақола19849 иқтибос
    ABI

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

    Shūichi Nosé

    Мақола19849 иқтибос
    ABI

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

    Georg Kresse, J. Häfner

    Мақола19948 иқтибос
    ABI

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

    Manish Chhowalla, Hyeon Suk Shin, Goki Eda +3

    Мақола20138 иқтибос
    ABI

  15. Gas sensing in 2D materials

    Shengxue Yang, Chengbao Jiang, Su‐Huai Wei

    Мақола20178 иқтибос
    ABI

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

    Alexander Stukowski

    Мақола20095 иқтибос
    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

    Мақола20193 иқтибос
    ABI

  18. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  19. Сарлавҳасиз

    Бошқа3 иқтибос
    ABI

  20. Сарлавҳасиз

    Бошқа3 иқтибос
    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

    МақолаGas Sensing Nanomaterials and SensorsMaterials Chemistry and Physics20262 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI