Mo-PtTe2 monolayer as a promising biosensor for prediagnosis of lung cancer: A DFT study

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

Natural Sciences, Chemistry, Physics +17

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

Hao Cui, Guozhi Zhang, Xiaoxing Zhang et al. · Nanoscale Advances · 2018 · 368 citations · Full text

Natural Sciences, Materials Science, Physics +17

Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study

Hao Cui, Chao Yan, Pengfei Jia et al. · Applied Surface Science · 2020 · 358 citations

Natural Sciences, Materials Engineering, Materials Science +14

Layered Platinum Dichalcogenides (PtS₂, PtSe₂, and PtTe₂) Electrocatalysis: Monotonic Dependence on the Chalcogen Size

Xinyi Chia, Adriano Ambrosi, Petr Lazar et al. · Advanced Functional Materials · 2016 · 294 citations

Natural Sciences, Chemistry, Materials Science +17

Single Rh atom decorated pristine and S-defected PdS2 monolayer for sensing thermal runaway gases in a lithium-ion battery: A first-principles study

Shichao Zhai, Xiaoping Jiang, Dan Wu et al. · Surfaces and Interfaces · 2023 · 172 citations

Natural Sciences, Materials Engineering, Materials Science +17