Перейти к основному содержанию
AkademIndex

Продукты

Для разработчиков

AkademBaseОткрытый API экосистемы
← Назад к работе

Работы, на которые ссылается эта работа

Работ: 56

Работа: Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Статья1996Цитирований: 153
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Статья1988Цитирований: 84
    ABI

  3. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Статья1993Цитирований: 74
    ABI

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

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 64
    ABI

  5. Special points for Brillouin-zone integrations

    Hendrik J. Monkhorst, J.D. Pack

    Статья1976Цитирований: 60
    ABI

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

    Georg Kresse, J. Furthmüller

    Статья1996Цитирований: 33
    ABI

  7. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    Статья2015Цитирований: 30
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Статья2011Цитирований: 25
    ABI

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

    Georg Kresse, J. Häfner

    Статья1993Цитирований: 17
    ABI

  10. First principles phonon calculations in materials science

    Atsushi Togo, Isao Tanaka

    Статья2015Цитирований: 12
    ABI

  11. First-principles Phonon Calculations with Phonopy and Phono3py

    Atsushi Togo

    Статья2022Цитирований: 12
    ABI

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

    Georg Kresse, J. Häfner

    Статья1994Цитирований: 6
    ABI

  13. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

    Warren J. Hehre, R. Ditchfield, John A. Pople

    Статья1972Цитирований: 6
    ABI

  14. A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

    Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell +1

    Статья1993Цитирований: 6
    ABI

  15. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

    William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives

    Статья1996Цитирований: 4
    ABI

  16. Achievements, challenges, and future prospects for industrialization of perovskite solar cells

    Chuang Yang, Wenjing Hu, Jiale Liu +6

    Обзорная статья2024Цитирований: 4
    ABI

  17. A Thiourea Competitive Crystallization Strategy for FA‐Based Perovskite Solar Cells

    Qihang Sun, Binyang Tuo, Ziqiu Ren +5

    Статья2022Цитирований: 3
    ABI

  18. A thiourea additive-based quadruple cation lead halide perovskite with an ultra-large grain size for efficient perovskite solar cells

    Jyoti V. Patil, Sawanta S. Mali, Chang Kook Hong

    Статья2019Цитирований: 3
    ABI

  19. Effects of thiourea on the perovskite crystallization for fully printable solar cells

    Song-Guk Ko, Gwon-Il Ryu, Byol Kim +4

    Статья2019Цитирований: 2
    ABI

  20. Defects engineering for high-performance perovskite solar cells

    Feng Wang, Sai Bai, Wolfgang Tress +2

    Статья2018Цитирований: 2
    ABI

  21. Thiourea-Assisted Facile Fabrication of High-Quality CsPbBr<sub>3</sub> Perovskite Films for High-Performance Solar Cells

    Jiayu Bi, Jiarun Chang, Lei Miao +3

    Статья2022Цитирований: 2
    ABI

  22. Thiourea Small Molecules Regulated Slow Passivation in MAPbI<sub>3</sub> Thin Films for Enhanced Stability and Performance of Perovskite Solar Cells

    Diksha Thakur, Shou-En Chiang, Russel Cruz Sevilla +3

    Статья2023Цитирований: 2
    ABI

  23. 25.71 %‐Efficiency FACsPbI <sub>3</sub> Perovskite Solar Cells Enabled by A Thiourea‐based Isomer

    Yong Li, Yuwei Duan, Jiangshan Feng +20

    Статья2024Цитирований: 2
    ABI

  24. Thiourea Suppressing Iodide Oxidation and Passivating Perovskite Surface to Achieve High‐Efficiency Stable Solar Cells

    Guoxin Hua, Xinyue Lin, Yiliang Lai +3

    Статья2024Цитирований: 2
    ABI

  25. Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

    Peter A. Kollman, Irina Massova, Carolina Reyes +12

    Статья2000Цитирований: 2
    ABI