DFT study of the adsorption properties and sensitivity of a BN monolayer toward harmful gases.

In this study, we investigate the adsorption of harmful gases - CO, NO, NO, SO, and O molecules - on a BN monolayer using periodic density functional theory. The adsorption energy values for the CO/BN, NO/BN, NO/BN, SO/BN, and O/BN complexes are determined to be -1.96, -1.

A novel design of high performance and robust ultra-low power SRAM cell based on memcapacitor.

The present paper proposes a six-FinFET two-memcapacitor (6T2MC) non-volatile static random-access memory (NVSRAM). In this design, the two memcapacitors are used as non-volatile memory elements. The proposed cell is flexible against data loss when turned off and offers significant improvement in read and write operations compared to previous NVSRAMs.

Detection of nucleobases on borophene nanosheet: A DFT investigation.

In this paper, we present a computational study investigating the electronic properties of DNA nucleobases (Adenine, Guanine, Cytosine and Thymine) on χ borophene using a combination of density functional theory (DFT) and non-equilibrium Green's function (NEGF) formalism.The adsorption energy, equilibrium distance, net charge of transfer, and density of states (DOSs) are obtained at different molecule orientations and selective positions.The most stable geometries of DNA molecules on χ borophene are also determined.