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Using DFT to explore the sensitivity of WSe2/phosphorene heterostructure toward HCN

Li Wang, Qingxiao Zhou, Jie Hou, Xiaoyang Liu, Weiwei Ju, Zenghui Zhao, Yajing Wang

2023Applied Surface Science28 citationsDOI

Topics & Concepts

PhosphoreneHeterojunctionDensity functional theoryAdsorptionVacancy defectTransition metalChemistryMaterials scienceMetalComputational chemistryChemical physicsBand gapPhysical chemistryInorganic chemistryCrystallographyCatalysisOptoelectronicsOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsGas Sensing Nanomaterials and Sensors
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