VESTA Tutorial - 25 PbTiO₃ Perovskite Surface Terminations (PbO vs TiO₂)

Ref: https://www.sciencedirect.com/science... In this tutorial, we explore the surface terminations of the perovskite material PbTiO₃. Starting from the crystal structure, we create a supercell and analyze two important surface terminations: PbO termination and TiO₂ termination. Using VESTA, this video demonstrates how to visualize the structure, build the supercell, and clearly identify the different atomic layers that lead to these two surface terminations. Such slab models are widely used in computational studies of perovskite oxides, especially for DFT calculations, surface science, and catalytic studies. This tutorial will be helpful for students and researchers working in computational materials science, solid-state physics, and density functional theory simulations. If you find this tutorial helpful, don’t forget to like, share, and subscribe to my channel, Computational Physicist, for more VASP, VESTA, and computational materials science tutorials. Subscribe:    / @computational_physicist   LinkedIn:   / soumyashree-das-adhikari-a14776217   VESTA Tutorial    • VESTA Tutorial - 1 How to add or remove bo...   How to add or remove boundary atoms using cif/CONTCAR/POSCAR files    • VESTA Tutorial - 2 How to make Gold nanosp...   How to make Gold nanosphere    • VESTA Tutorial - 3 How to delete extra ato...   How to delete extra atoms and how to hide cell boundary    • VESTA Tutorial - 4 How to make a graphene ...   How to make a graphene layer    • VESTA Tutorial - 5 Slab Making in Vesta   Slab Making in Vesta    • VESTA Tutorial - 6 Drop a molecule on MXen...   Drop a molecule on MXene surface    • VESTA Tutorial - 7 How to orthogonalize a ...   How to orthogonalize a unit cell using VESTA and RIPER tools    • VESTA Tutorial - 8 How to construct a 3x2√...   How to construct a 3x2√3 supercell of V2CO2 using VESTA software    • VESTA Tutorial - 9 Let's construct MnO₂ mo...   Let's construct MnO₂ monolayer using VESTA software    • VESTA Tutorial - 10 Gold Nanowire using VE...   Nanowire using VESTA software    • VESTA Tutorial - 11 MXene Termination   MXene Termination    • VESTA Tutorial - 12 Create g-C₃N₄ Unit Cel...   Create g-C₃N₄ Unit Cell & √3×2 Supercell in VESTA    • VESTA Tutorial - 13 Gaussian Cube File Vis...   Gaussian Cube File Visualization in VESTA    • VESTA Tutorial - 14 Turbostratic Graphene ...   Turbostratic Graphene Using VESTA    • VESTA Tutorial - 15 O-Terminated MXene Str...   O-Terminated MXene Structural Designs: FCC, HCP, and Mixed Types in VESTA    • VESTA Tutorial - 16 Creating Na₂Mn[Fe(CN)₆...   Creating Na₂Mn[Fe(CN)₆] Crystal Structure    • VESTA Tutorial - 17 Creating Parallel Plan...   Creating Parallel Planes in VESTA    • VESTA Tutorial - 18 Creating Perpendicular...   Creating Perpendicular Planes in VESTA    • VESTA Tutorial - 19 Creating a Slab in VESTA   Creating a Slab in VESTA    • VESTA Tutorial - 20 Create Nano Clusters i...   Create Nano Clusters in VESTA    • VESTA Tutorial - 21 Create a Heterostructu...   Create a Heterostructure in VESTA    • VESTA Tutorial - 22 MoS₂-WS₂ Heterostructure   MoS₂-WS₂ Heterostructure    • VESTA Tutorial - 23 Packing Multiple Molec...   Packing Multiple Molecules in a Simulation Box Using VESTA    • VESTA Tutorial - 24 Atomic Doping in VESTA   Atomic Doping in VESTA #VESTA #AtomicDoping #DFT #ComputationalMaterials #MaterialsScience #CrystalStructure #FeDoping #Mn2O3 #SolidStatePhysics #DFTPreparation #MXene #2Dimension #dimension #graphene #turbostatic #twisted_graphene #VESTA #Gaussian #CubeFile #MolecularOrbitals #HOMO #ComputationalChemistry #gc3n4 #graphite #graphiticcarbonnitride #computation #physics #ComputationalPhysicist #VESTA #computationalchemistry #VESTASoftware #MolecularVisualization #Chemistry #ResearchTools #vasp #ScientificSoftware #3DVisualization #youtube #ComputationalChemistry #YouTubeScience #youtuber #MXene #2Dmaterials #nanocluster #cluster