First principles methods using CASTEP

• Interfacial Atomic and Electronic Structures of LSM/YSZ Thin Films as Models for SOC Air Electrodes

  2026 ChemElectroChem article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  0

  citations
• CuPd nanoalloys are efficient for the hydrodeoxygenation of lignin‐derived vanillin

  2026 AIChE Journal article Engineering Catalysis for Biomass Conversion Open access

  4

  citations
• Ultralow Thermal Conductivity in Layered CuGe 2 Se 3

  2025 Angewandte Chemie International Edition article Materials Science Advanced Thermoelectric Materials and Devices

  5

  citations
• Ultralow Thermal Conductivity in Layered CuGe 2 Se 3

  2025 Angewandte Chemie article Materials Science Advanced Thermoelectric Materials and Devices

  0

  citations
• Pressure-mediated band engineering and cation ordering for enhanced thermoelectric performance in CuInTe2 chalcopyrites

  2025 Chemical Engineering Journal article Materials Science Advanced Thermoelectric Materials and Devices

  8

  citations
• Decoding the AlPO 4 and LATP surface with a combined NMR-DFT approach

  2025 Energy Advances article Chemistry Zeolite Catalysis and Synthesis Open access

  3

  citations
• Boon and Bane of Local Solid State Chemistry on the Performance of LSM‐Based Solid Oxide Electrolysis Cells

  2024 Advanced Energy Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  11

  citations
• Chemical Concepts in Solids

  2024 other Chemistry Inorganic Chemistry and Materials Open access

  1

  citations
• Contrasting packing modes for tubular assemblies in chlorosomes

  2024 Photosynthesis Research article Biochemistry, Genetics and Molecular Biology Photosynthetic Processes and Mechanisms Open access

  6

  citations
• Emerging contaminants: A One Health perspective

  2024 The Innovation article Environmental Science Environmental Toxicology and Ecotoxicology Open access

  575

  citations
• Contrasting packing modes for tubular assemblies in chlorosomes

  2023 Research Square preprint Materials Science Porphyrin and Phthalocyanine Chemistry Open access

  1

  citations
• Forced Disorder in the Solid Solution Li 3 P–Li 2 S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes

  2022 Journal of the American Chemical Society article Engineering Advanced Battery Materials and Technologies Open access cited by 2 patents

  47

  citations
• Phase Transformations and Phase Segregation during Potassiation of SnxPy Anodes

  2022 Chemistry of Materials article Engineering Advancements in Battery Materials Open access

  9

  citations
• Study on the most effective pressure application method to increase the critical temperature of MgB2

  2022 Materials Today Communications article Physics and Astronomy Superconductivity in MgB2 and Alloys

  0

  citations
• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

  40

  citations
• Nano‐Scale Complexions Facilitate Li Dendrite‐Free Operation in LATP Solid‐State Electrolyte

  2021 Advanced Energy Materials article Engineering Advanced Battery Materials and Technologies Open access

  79

  citations
• Nonlinear optical effects in two mercury cyanamide/guanidinium chlorides Hg 3 (NCN) 2 Cl 2 and Hg 2 (C(NH 2 ) 3 )Cl 5

  2020 Journal of Materials Chemistry C article Materials Science Nonlinear Optical Materials Research

  7

  citations

17 results