A comparative first-principles investigation of bilayer NbOX2 (X=Cl, Br, I) for Photocatalytic water splitting applications

Laku Dorjee Tamang, Shivraj Gurung, Bhanu Chettri +6

Motivated by our previous work on bulk NbOX2 , where we have reported its high 1dielectric polarisation and finite piezoelectric response, this work extends to its 2D homo bilayer…