First-principles investigation of phosphorus-doped SnS2 monolayer as a promising biosensor for breast cancer diagnosis

Malik NU, Tiwari KP, ULLAH I, Verma ML (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Chinese Journal of Physics The Physical Society of the Republic of China

Book Volume: 102

Pages Range: 792-805

DOI: 10.1016/j.cjph.2026.04.033

Abstract

Cancer survival rates are much higher if cancer is diagnosed at an early stage and nanobiosensors are a promising platform for early detection. However, achieving high sensitivity toward low-concentration volatile organic compounds (VOCs), which are breast cancer biomarkers, remains challenging. In this study, we have employed DFT calculations to examine pristine SnS2 and phosphorus-doped SnS2 (P@SnS2) monolayers as potential nano-biosensors for breast-cancer-related VOCs, including heptanal, 2-propanol, 2-butanone, and 2-nonanone. We have found both of these systems to be thermodynamically and dynamically stable. P-doping significantly reduces the band gap from 1.50 to 1.37 eV (spin up) and 0.47 eV (spin down), induces p-type behavior, and modifies the density of states near the Fermi level. The adsorption results revealed that P@SnS2 exhibits enhanced adsorption affinity and high sensitivity toward the studied VOC molecules. In addition, the high desorption temperature and prolonged recovery time indicate that the P-SnS2 monolayer can be effective as a resistance-type biosensor for early-stage breast cancer detection. Our calculations aim to propose sensing nanomaterials for experimentalists to facilitate progress in breast cancer prognosis.

Authors with CRIS profile

IMRAN ULLAH Professur für Kristallographie und Strukturphysik

Involved external institutions

Government E. Raghavendra Rao Postgraduate Science College, Bilaspur Chhattisgarh IN India (IN) Shri ShankraCharya Technical Campus (SSTC) IN India (IN)

How to cite

APA:

Malik, N.U., Tiwari, K.P., ULLAH, I., & Verma, M.L. (2026). First-principles investigation of phosphorus-doped SnS2 monolayer as a promising biosensor for breast cancer diagnosis. Chinese Journal of Physics, 102, 792-805. https://doi.org/10.1016/j.cjph.2026.04.033

MLA:

Malik, Nayab Ul, et al. "First-principles investigation of phosphorus-doped SnS2 monolayer as a promising biosensor for breast cancer diagnosis." Chinese Journal of Physics 102 (2026): 792-805.

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