1. DFT Study of Skutterudite CoSb3 and In0.2Co4Sb12 Thermoelectric Heterostructures with 2D–WSe2. Issue 32 (27th August 2018) Authors: Kiarii, Ephraim Muriithi; Govender, Krishna Kuben; Mamo, Messai Adenew; Govender, Penny Poomani Journal: ChemistrySelect Issue: Volume 3:Issue 32(2018) Page Start: 9336 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Enhancing Charge Separation and Photocatalytic Activity of Cubic SrTiO3 with Perovskite‐Type Materials MTaO3 (M=Na, K) for Environmental Remediation: A First‐Principles Study. Issue 22 (1st August 2017) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: ChemistrySelect Issue: Volume 2:Issue 22(2017) Page Start: 6304 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Hybrid DFT study of MWCNT/Zr-doped SrTiO3 heterostructure: Hydrogen production, electronic properties and charge Carrier mediator role of Zr4+ ion. (6th December 2018) Authors: Opoku, Francis; Govender, Krishna Kuben; Catharina Elizabeth van Sittert, Cornelia Gertina; Govender, Penny Poomani Journal: International journal of hydrogen energy Issue: Volume 43:Number 49(2018) Page Start: 22253 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants. (23rd June 2017) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: Advanced sustainable systems Issue: Volume 1:Number 7(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Role of MoS2 and WS2 monolayers on photocatalytic hydrogen production and the pollutant degradation of monoclinic BiVO4: a first-principles study. (15th September 2017) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: New journal of chemistry Issue: Volume 41:Number 20(2017) Page Start: 11701 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Tuning the electronic structures, work functions, optical properties and stability of bifunctional hybrid graphene oxide/V–doped NaNbO3 type–II heterostructures: A promising photocatalyst for H2 production. (September 2018) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: Carbon Issue: Volume 136(2018) Page Start: 187 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Understanding the mechanism of enhanced charge separation and visible light photocatalytic activity of modified wurtzite ZnO with nanoclusters of ZnS and graphene oxide: from a hybrid density functional study. (12th July 2017) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: New journal of chemistry Issue: Volume 41:Number 16(2017) Page Start: 8140 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Understanding the synergistic effects, optical and electronic properties of ternary Fe/C/S‐doped TiO2 anatase within the DFT + U approach. Issue 5 (23rd September 2017) Authors: Opoku, Francis; Govender, Krishna Kuben; van Sittert, Cornelia Gertina Catharina Elizabeth; Govender, Penny Poomani Journal: International journal of quantum chemistry Issue: Volume 118:Issue 5(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗