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Иш: Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

  1. Elastic constants versus melting temperature in metals

    M. E. Fine, L.D. Brown, H.L. Marcus

    Мақола19846 иқтибос
    ABI

  2. Quantum‐mechanical condensed matter simulations with CRYSTAL

    Roberto Dovesi, Alessandro Erba, Roberto Orlando +8

    Мақола20186 иқтибос
    ABI

  3. BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations

    Daniel Vilela Oliveira, Joachim Laun, Michael F. Peintinger +1

    Мақола20196 иқтибос
    ABI

  4. Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

    Shakeel Ahmad Khandy, Ishtihadah Islam, Dinesh C. Gupta +2

    Мақола20195 иқтибос
    ABI

  5. Constant-temperature molecular dynamics

    Shūichi Nosé

    Мақола19905 иқтибос
    ABI

  6. Electro-optics of perovskite solar cells

    Qianqian Lin, Ardalan Armin, Ravi Chandra Raju Nagiri +2

    Мақола20145 иқтибос
    ABI

  7. Recent advancements on the sustainable biochar based semiconducting materials for photocatalytic applications: A state of the art review

    P. Bhavani, Murid Hussain, Young‐Kwon Park

    Мақола20214 иқтибос
    ABI

  8. Transport coefficients from first-principles calculations

    Thomas J. Scheidemantel, Claudia Draxl, Timo Thonhauser +2

    Мақола20034 иқтибос
    ABI

  9. Pressure effect on the structural and elastic property of Hf2InC

    Haichuan Chen, Lijun Yang

    Мақола20114 иқтибос
    ABI

  10. Semiconducting materials for photoelectrochemical energy conversion

    Kevin Sivula, Roel van de Krol

    Шарҳ мақола20163 иқтибос
    ABI

  11. Zur Theorie der spezifischen Wärmen

    P. Debye

    Мақола19123 иқтибос
    ABI

  12. Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer

    K. Kim, Kenneth D. Jordan

    Мақола19943 иқтибос
    ABI

  13. Hardness of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>T</mml:mi></mml:math>-carbon: Density functional theory calculations

    Xing‐Qiu Chen, Haiyang Niu, Cesare Franchini +2

    Мақола20113 иқтибос
    ABI

  14. Computational Simulations of Thermoelectric Transport Properties

    Byungki Ryu, Min‐Wook Oh

    Мақола20163 иқтибос
    ABI

  15. Solving the Christoffel equation: Phase and group velocities

    Jan Jaeken, Stefaan Cottenier

    Мақола20163 иқтибос
    ABI

  16. Elastic anisotropy of crystals

    Christopher M. Kube

    Мақола20163 иқтибос
    ABI

  17. The electronic, elastic and thermodynamic properties of carbon-and nitrogen-doped Hf<sub>2</sub>PB: a theoretical approach

    Heng Zhang, Yong Tang, Xiangli Zhong +4

    Мақола20183 иқтибос
    ABI

  18. <scp>BSSE‐corrected</scp> consistent Gaussian basis sets of <scp>triple‐zeta</scp> valence with polarization quality of the fifth period for <scp>solid‐state</scp> calculations

    Joachim Laun, Thomas Bredow

    Мақола20223 иқтибос
    ABI

  19. Molecular dynamics simulations at constant pressure and/or temperature

    Hans Christian Andersen

    Мақола19802 иқтибос
    ABI

  20. Realising the potential of thermoelectric technology: a Roadmap

    Robert Freer, Anthony V. Powell

    Мақола20192 иқтибос
    ABI

  21. Thermoelectric Properties of p-Type Cu<sub>2</sub>O, CuO, and NiO from Hybrid Density Functional Theory

    Jarno Linnera, Giuseppe Sansone, Lorenzo Maschio +1

    Мақола20182 иқтибос
    ABI

  22. Peculiar electric and photoelectric behavior of lead-containing perovskite-type oxides

    O. I. Prokopalo, I. P. Raevskii, M. A. Malitskaya +3

    Мақола19822 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  24. Calculation of debye temperature for crystalline structures—a case study on Ti, Zr, and Hf

    Qing Chen, Bo Sundman

    Мақола20012 иқтибос
    ABI

  25. Crystal Structure and Pair Potentials: A Molecular-Dynamics Study

    Michele Parrinello, A. Rahman

    Мақола19802 иқтибос
    ABI