Photocatalytic application of a type-II GaAlSe2/HfSSe van der Waals heterostructure

被引：0

作者：

Mehta, Disha ^{[1
]}

Naik, Yashasvi ^{[1
]}

Modi, Nidhi ^{[2
]}

Patel, Abhishek ^{[3
]}

Patel, V. R. ^{[4
]}

Thakor, P. B. ^{[1
]}

机构：

[1] Veer Narmad South Gujarat Univ, Dept Phys, Udhna Magdalla Rd, Surat 395007, Gujarat, India

[2] Sir PT Sarvajanik Coll Sci, Dept Phys, Jawaharlal Nehru Marg,Opposite Chaupati Athwalines, Surat 395001, Gujarat, India

[3] Govt Arts & Sci Coll, Dept Phys, Panchmahal 389390, Gujarat, India

[4] PP Savani Univ, Sch Engn, Dhamdod, Surat 394125, Gujarat, India

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2025年

关键词：

GaAlSe2/HfSSe heterostructure; Type-II band alignment; optoelectronic performance; Z-scheme; photocatalytic water splitting; TO-HYDROGEN EFFICIENCY; OPTICAL-PROPERTIES; WATER; MONOLAYER; STRAIN; 1ST-PRINCIPLES; HETEROJUNCTION;

D O I：

10.1142/S0217979225400673

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

To address the recent environmental challenge, photocatalytic water splitting offers significant potential, as it only utilizes solar energy to generate hydrogen. From this perspective, in this work, we have studied the optoelectronic and photocatalytic behavior of type-II van der Waals heterostructure (vdwHS) GaAlSe2/HfSSe by using density functional theory (DFT). A type-II GaAlSe2/HfSSe vdwHS is a semiconductor with an optimal band gap of 1.40 eV. The optical behavior highlights that the vdwHS GaAlSe2/HfSSe possesses significant absorption in the visible region. The band alignment of the GaAlSe2/HfSSe vdwHS is favorable for Z-scheme charge transfer, which will facilitate the redox reactions for water decompositions. A type-II GaAlSe2/HfSSe vdwHS is a potential candidate for photocatalytic application in the pH range 7-9.

引用

页数：16

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