931. Theoretical Analysis of a 2D Metallic/Semiconducting Transition‐Metal Dichalcogenide NbS2//WSe2 Hybrid Interface. Issue 12 (27th October 2020) Authors: Golsanamlou, Zahra; Sementa, Luca; Cusati, Teresa; Iannaccone, Giuseppe; Fortunelli, Alessandro Journal: Advanced theory and simulations Issue: Volume 3:Issue 12(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
932. Theoretical Analysis of a 2D Metallic/Semiconducting Transition‐Metal Dichalcogenide NbS2//WSe2 Hybrid Interface. Issue 7 (14th July 2021) Authors: Golsanamlou, Zahra; Sementa, Luca; Cusati, Teresa; Iannaccone, Giuseppe; Fortunelli, Alessandro Journal: Advanced theory and simulations Issue: Volume 4:Issue 7(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
933. Theoretical Analysis of Surface Active Sites in Defective 2H and 1T′ MoS2 Polymorphs for Hydrogen Evolution Reaction: Quantifying the Total Activity of Point Defects. Issue 3 (21st January 2020) Authors: Ekspong, Joakim; Gracia‐Espino, Eduardo Journal: Advanced theory and simulations Issue: Volume 3:Issue 3(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
934. Theoretical Evidence of the Singlet Predominance in the Intramolecular Energy Transfer in Ruhemann's Purple Tb(III) Complexes. Issue 3 (10th February 2021) Authors: Moura, Renaldo T.; Oliveira, Jhulie A.; Santos, Inácio A.; de Lima, Ewerton M.; Carlos, Luís D.; Aguiar, Eduardo C.; Neto, Albano N. Carneiro Journal: Advanced theory and simulations Issue: Volume 4:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
935. Theoretical Insights for Materials Properties of Cyclic Organic Nanorings. Issue 10 (3rd September 2020) Authors: Pérez‐Jiménez, Ángel J.; Sancho‐García, Juan C. Journal: Advanced theory and simulations Issue: Volume 3:Issue 10(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
936. Theoretical Investigation of CsBX3 (B = Pb, Sn; X = I, Br, Cl) Using Tran–Blaha Modified Becke–Johnson Approximation for Flexible Photoresponsive Memristors. Issue 7 (29th May 2021) Authors: Khera, Ejaz Ahmad; Ullah, Hafeez; Imran, Muhammad; Khalil, R. M. Arif; Hussain, Fayyaz; Algadi, Hassan Journal: Advanced theory and simulations Issue: Volume 4:Issue 7(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
937. Theoretical Prediction and Thermal Transport Properties of Novel Monolayer TlPt2Se3. Issue 5 (23rd February 2022) Authors: Nair, Surabhi Suresh; Sajjad, Muhammad; Singh, Nirpendra Journal: Advanced theory and simulations Issue: Volume 5:Issue 5(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
938. Theoretical Prediction of Spinel Na2InxSc0.666−xCl4 and Rock‐Salt Na3In1−xScxCl6 Superionic Conductors for All‐Solid‐State Sodium‐Ion Batteries. Issue 1 (11th November 2022) Authors: Hussain, Fiaz; Yu, Pengcheng; Zhu, Jinlong; Xia, Hui; Zhao, Yusheng; Xia, Wei Journal: Advanced theory and simulations Issue: Volume 6:Issue 1(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
939. Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells. Issue 9 (26th June 2020) Authors: Geng, Wei; Tong, Chuan‐Jia; Zhang, Yanning; Liu, Li‐Min Journal: Advanced theory and simulations Issue: Volume 3:Issue 9(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
940. Theoretical Study of Interfacial and Electronic Properties of Transition Metal Dichalcogenides and Organic Molecules Based van der Waals Heterostructures. Issue 6 (10th May 2020) Authors: Habib, Mohammad Rezwan; Wang, Weijia; Khan, Afzal; Khan, Yahya; Obaidulla, Sk Md; Pi, Xiaodong; Xu, Mingsheng Journal: Advanced theory and simulations Issue: Volume 3:Issue 6(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗