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49 та иш

Иш: Electronic and adsorption properties of halogen molecule X2 (X=F, Cl) adsorbed arsenene: First-principles study

  1. Journal of Physics: Conference Series

    Cristiana Bartolomei, Cecilia Mazzoli, Caterina Morganti

    Бошқа2013434 иқтибос
    ABI

  2. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI

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

    Georg Kresse, J. Furthmüller

    Мақола199664 иқтибос
    ABI

  4. 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

    Мақола201057 иқтибос
    ABI

  5. Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Мақола201810 иқтибос
    ABI

  6. Semiconductor physical electronics

    Slobodan Mijalković

    Мақола19979 иқтибос
    ABI

  7. Adsorption of phenol, hydrazine and thiophene on stanene monolayers: A computational investigation

    Amirali Abbasi

    Мақола20183 иқтибос
    ABI

  8. Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems

    C. Kamal, Motohiko Ezawa

    Мақола20152 иқтибос
    ABI

  9. Strain-induced metal-semiconductor transition in monolayers and bilayers of gray arsenic: A computational study

    Zhen Zhu, Jie Guan, David Tománek

    Мақола20152 иқтибос
    ABI

  10. <scp>LOBSTER</scp> : Local orbital projections, atomic charges, and chemical‐bonding analysis from <scp>projector‐augmented‐wave‐based</scp> density‐functional theory

    Ryky Nelson, Christina Ertural, Janine George +3

    Мақола20202 иқтибос
    ABI

  11. Nudged elastic band method for finding minimum energy paths of transitions

    Hannes Jónsson, G.A. Mills, Karsten W. Jacobsen

    Мақола19982 иқтибос
    ABI

  12. The adsorption of sulfur trioxide and ozone molecules on stanene nanosheets investigated by DFT: Applications to gas sensor devices

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Мақола20182 иқтибос
    ABI

  13. Influence of defects and dopants on the sensitivity of arsenene towards HCN

    Qingxiao Zhou, Weiwei Ju, Yaxin Liu +2

    Мақола20192 иқтибос
    ABI

  14. Adsorption behavior of Rh-doped MoS2 monolayer towards SO2, SOF2, SO2F2 based on DFT study

    Xianxian Gui, Qu Zhou, Shudi Peng +2

    Мақола20202 иқтибос
    ABI

  15. Classical and Quantum Dynamics in Condensed Phase Simulations

    Бошқа19982 иқтибос
    ABI

  16. Сарлавҳасиз

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