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Arxiv / №5.1 · 2026 / Maqola
01.00.00 – FIZIKA-MATEMATIKA FANLARI

GRAFENDAGI STRUKTURAVIY NUQSONLARNING VODOROD ADSORBSIYASIGA TA’SIRI

Annotatsiya
O'ZBEKCHA

Ushbu ishda nuqsonli grafenlarda H₂ molekulalarining fizisorbsiyasi reaktiv molekular dinamika usuli bilan o‘rganildi. Nuqsonlar o‘lchami va konsentratsiyasi ortishi qismiy zaryadlar qayta taqsimlanishi hisobiga adsorbsiyani kuchaytirishi, shuningdek, eng yuqori nuqson ulushida gravimetrik zichlik 2,16 wt.%ga yetdi.

Kalit so'zlar: vodorod saqlash, nuqsonli grafen, vodorod fizisorbsiyasi, reaktiv molekulyar dinami-ka.
РУССКИЙ

В работе методом реактивной молекулярной динамики исследована физическая адсорбция молекул H₂ на дефектном графене. Показано, что увеличение размера и концентрации дефектов усиливает адсорбцию за счёт перераспределения частичных зарядов. При максимальной доле дефектов гравиметрическая плотность достигла 2,16 wt.%.

Ключевые слова: хранение водорода, дефектный графен, физическая адсорбция водорода, реактивная молекулярная динамика.
ENGLISH

In this work, the physisorption of H₂ molecules on defective graphene was studied using reactive molecular dynamics. The results show that increasing the size and concentration of defects enhances adsorption through the redistribution of partial charges. At the highest defect fraction, the gravimetric density reached 2.16 wt.%.

Keywords: hydrogen storage, defective graphene, hydrogen physisorption, reactive molecular dyna-mics
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