1. A comprehensive investigation on electronic structure, optical and thermoelectric properties of the HfSSe Janus monolayer. (September 2020) Authors: Hoat, D.M.; Naseri, Mosayeb; Hieu, Nguyen N.; Ponce-Pérez, R.; Rivas-Silva, J.F.; Vu, Tuan V.; Cocoletzi, Gregorio H. Journal: Journal of physics and chemistry of solids Issue: Volume 144(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification. Issue 40 (16th September 2022) Authors: Vu, Tuan V.; Nguyen, Duy Khanh; Guerrero-Sanchez, J.; Rivas-Silva, J. F.; Cocoletzi, Gregorio H.; Hoat, D. M. Journal: RSC advances Issue: Volume 12:Issue 40(2022) Page Start: 26418 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Adsorption of small pollutant molecules on monolayer blue phosphorus. (March 2021) Authors: Corona-García, C.A.; Cocoletzi, Gregorio H.; Sánchez-Ochoa, Francisco Journal: Materials today communications Issue: Volume 26(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Chemical functionalization of low-buckled SiGe monolayer: Effects on the electronic and magnetic properties. (1st November 2022) Authors: Nguyen, Duy Khanh; Guerrero-Sanchez, J.; Rivas-Silva, J.F.; Vu, Tuan V.; Cocoletzi, Gregorio H.; Hoat, D.M. Journal: Materials science in semiconductor processing Issue: Volume 150(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Computational prediction of the spin-polarized semiconductor equiatomic quaternary Heusler compound MnVZrP as a spin-filter. Issue 43 (7th July 2020) Authors: Hoat, D. M.; Hoang, Duc-Quang; Naseri, Mosayeb; Rivas-Silva, J. F.; Kartamyshev, A. I.; Cocoletzi, Gregorio H. Journal: RSC advances Issue: Volume 10:Issue 43(2020) Page Start: 25609 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Defective and doped MgO monolayer as promising 2D materials for optoelectronic and spintronic applications. (October 2022) Authors: Van On, Vo; Guerrero-Sanchez, J.; Ponce-Pérez, R.; Vu, Tuan V.; Rivas-Silva, J.F.; Cocoletzi, Gregorio H.; Hoat, D.M. Journal: Materials science in semiconductor processing Issue: Volume 149(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Feature‐rich structural, electronic, magnetic and optical properties of the fluorine‐ and nitrogen‐incorporated CaF2 compound. Issue 15 (27th April 2021) Authors: Hoat, D. M.; Nguyen, Duy Khanh; On, Vo Van; Ul Haq, Bakhtiar; Rivas‐Silva, J. F.; Cocoletzi, Gregorio H. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 15(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Ferromagnetic half-metallicity of the cubic NaMgO3 perovskite: from bulk to (001) surfaces. Issue 4 (11th January 2022) Authors: Van On, Vo; Guerrero-Sanchez, J.; Ponce-Pérez, R.; Rivas-Silva, J. F.; Cocoletzi, Gregorio H.; Hoat, D. M. Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 4(2022) Page Start: 2209 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. First‐principles investigation of the (HfSe2)4−n–(HfSSe)n (n = 0, 1, 2, 3, 4) lateral heterostructures. Issue 6 (25th December 2021) Authors: Van On, Vo; Guerrero‐Sanchez, J.; Ponce‐Pérez, R.; Rivas‐Silva, J. F.; Cocoletzi, Gregorio H.; Hoat, D. M. Journal: International journal of quantum chemistry Issue: Volume 122:Issue 6(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Half-metallicity and magnetism in BAs monolayer induced by anchoring 3d transition metals (TM = V, Cr and Mn). (March 2020) Authors: Hoat, D.M.; Naseri, Mosayeb; Hieu, Nguyen N.; Ponce-Pérez, R.; Tong, Hien D.; Rivas-Silva, J.F.; Vu, Tuan V.; Cocoletzi, Gregorio H. Journal: Superlattices and microstructures Issue: Volume 139(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗