Accurate and efficient algorithm for Bader charge integration

• Chemical Bonding Trends in Y 2 M 3 Si 5 ( M = Mn–Cu, Tc–Pd, Re–Pt): A Study within the Broad R 2 M 3 X 5 Intermetallic Family

  2025 Inorganic Chemistry article Engineering Intermetallics and Advanced Alloy Properties Open access

  1

  citations
• Chemical bonding in phase-change chalcogenides

  2024 Journal of Physics Condensed Matter article Materials Science Phase-change materials and chalcogenides Open access

  27

  citations
• Layered GaGe2Te: structure and chemical bonding

  2023 Zeitschrift für anorganische und allgemeine Chemie article Materials Science Crystal Structures and Properties Open access

  5

  citations
• Chemical bonding with plane waves

  2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies

  9

  citations
• Scaling and Confinement in Ultrathin Chalcogenide Films as Exemplified by GeTe

  2022 Small article Materials Science Phase-change materials and chalcogenides Open access

  29

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li- and Na-Ion Batteries Involving Complex Nitrogen-Based Anions

  2022 Chemistry of Materials article Engineering Advancements in Battery Materials

  19

  citations
• Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism

  2021 Advanced Functional Materials article Engineering Perovskite Materials and Applications Open access

  118

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions

  2021 preprint Engineering Advancements in Battery Materials Open access

  0

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions

  2021 ChemRxiv preprint Engineering Advancements in Battery Materials Open access

  0

  citations
• How to Identify Lone Pairs, Van der Waals Gaps, and Metavalent Bonding Using Charge and Pair Density Methods: From Elemental Chalcogens to Lead Chalcogenides and Phase‐Change Materials

  2021 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides Open access

  42

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries

  2021 preprint Engineering Advancements in Battery Materials Open access

  0

  citations
• RETRACTED: First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries

  2021 ChemRxiv preprint Engineering Advancements in Battery Materials Open access

  0

  citations
• Eu2CuSe3 Revisited by Means of Experimental and Quantum‐Chemical Techniques

  2021 European Journal of Inorganic Chemistry article Materials Science Crystal Structures and Properties

  11

  citations
• Halide perovskites: third generation photovoltaic materials empowered by metavalent bonding

  2020 Research Square preprint Engineering Perovskite Materials and Applications Open access

  5

  citations
• Discovering Electron‐Transfer‐Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O)

  2020 Advanced Materials article Materials Science Crystal Structures and Properties Open access

  84

  citations
• LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory

  2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1,585

  citations
• The interplay between Peierls distortions and metavalent bonding in IV–VI compounds: comparing GeTe with related monochalcogenides

  2020 Journal of Physics D Applied Physics article Materials Science Phase-change materials and chalcogenides Open access

  76

  citations

17 results