Works cited by this work

40 works

Work: Tailoring the adsorption properties of iridium and osmium cluster functionalized WSe2 nanosheets towards NO2, SO2 and SO2F2 molecules: A DFT study

1. Special points for Brillouin-zone integrations

   Hendrik J. Monkhorst, J.D. Pack

   Article197660 citations

   ABIABI:AkademIndex/openalex/2026.other.075134

2. 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

   Article201057 citations

   ABIABI:AkademIndex/openalex/2026.other.024826

3. Self-Consistent Equations Including Exchange and Correlation Effects

   W. Kohn, L. J. Sham

   Article196544 citations

   ABIABI:AkademIndex/openalex/2026.other.022678

4. Untitled

   Other39 citations

   ABIABI:AkademIndex/openalex/2026.other.022641

5. The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

   José M. Soler, Emilio Artacho, Julian D. Gale +4

   Article200217 citations

   ABIABI:AkademIndex/openalex/2026.other.144388

6. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

   John P. Perdew, Kieron Burke, Matthias Ernzerhof

   Article199714 citations

   ABIABI:AkademIndex/openalex/2026.other.150607

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

   Amirali Abbasi, Jaber Jahanbin Sardroodi

   Article201810 citations

   ABIABI:AkademIndex/openalex/2026.other.144393

8. Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices

   Amirali Abbasi, Jaber Jahanbin Sardroodi

   Article20179 citations

   ABIABI:AkademIndex/openalex/2026.other.144390

9. Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method

   Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1

   Article20187 citations

   ABIABI:AkademIndex/openalex/2026.other.150614

10. A first-principles study of SOF2 and SO2F2 adsorption onto PdSe2-based monolayers: Favorable sensitivity and selectivity by doping single Cu or Rh atom

    Hao Cui, Jian Hu, Xiaoping Jiang +1

    Article20257 citations

    ABIABI:AkademIndex/openalex/2026.other.482814

11. Noble metal (Pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: A first-principles investigation

    Hao Cui, Hailong Wu, Dan He +1

    Article20256 citations

    ABIABI:AkademIndex/openalex/2026.other.565945

12. Rh-doped MoSe₂ as a toxic gas scavenger: a first-principles study

    Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1

    Article20184 citations

    ABIABI:AkademIndex/openalex/2026.other.144392

13. Single Ni atom doped WS2 monolayer as sensing substrate for dissolved gases in transformer oil: A first-principles study

    Dachang Chen, Yi Li, Song Xiao +3

    Article20214 citations

    ABIABI:AkademIndex/openalex/2026.other.150630

14. Adsorption of SF6 decomposition gases on Ag2O(1,2)-WSe2 monolayers: A DFT study

    Kaixing Li, Tianyan Jiang, Hongli Tian +3

    Article20224 citations

    ABIABI:AkademIndex/openalex/2026.other.328270

15. Recent Advances in Two-Dimensional Materials beyond Graphene

    Ganesh R. Bhimanapati, Zhong Lin, Vincent Meunier +24

    Article20153 citations

    ABIABI:AkademIndex/openalex/2026.other.084139

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

    Amirali Abbasi

    Article20183 citations

    ABIABI:AkademIndex/openalex/2026.other.297902

17. Adsorption of SO2 and NO2 molecule on intrinsic and Pd-doped HfSe2 monolayer: A first-principles study

    Hao Cui, Pengfei Jia, Xiaoyan Peng

    Article20203 citations

    ABIABI:AkademIndex/openalex/2026.other.320564

18. Ni-decorated WS ₂ -WSe ₂ heterostructure as a novel sensing candidate upon C ₂ H ₂ and C ₂ H ₄ in oil-filled transformers: a first-principles investigation

    Hai‐Long Wu, Shan Zhong, Yuejing Bin +2

    Article20253 citations

    ABIABI:AkademIndex/openalex/2026.other.565947

19. A novel strategy for SO x removal by N-doped TiO 2 /WSe 2 nanocomposite as a highly efficient molecule sensor investigated by van der Waals corrected DFT

    Amirali Abbasi, Jaber Jahanbin Sardroodi

    Article20173 citations

    ABIABI:AkademIndex/openalex/2026.other.596189

20. Highly sensitive MoTe ₂ chemical sensor with fast recovery rate through gate biasing

    Zhihong Feng, Yuan Xie, Jiancui Chen +10

    Article20172 citations

    ABIABI:AkademIndex/openalex/2026.other.133962

21. The adsorption of CO and NO on the MoS2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

    Dongwei Ma, Weiwei Ju, Tingxian Li +5

    Article20162 citations

    ABIABI:AkademIndex/openalex/2026.other.328256

22. Untitled

    Other2 citations

    ABIABI:AkademIndex/openalex/2026.other.386475

23. The adsorption performance of harmful gas on Cu doped WS2: A first-principle study

    Xiaoxing Zhang, Jincong Wang, Dachang Chen +1

    Article20212 citations

    ABIABI:AkademIndex/openalex/2026.other.599366

24. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.762189

25. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.762190