Naveen K Dandu

activity

20242026

collaborators

3 papers

cond-mat.mtrl-sci2026

Atomic-Scale Mechanisms of Li-Ion Transport Mediated by Li10GeP2S12 in Composite Solid Polyethylene Oxide Electrolytes

Syed Mustafa Shah, Musawenkosi K. Ncube, Mohammed Lemaalem +8

Polymer electrolytes incorporating Li $_{10}$ GeP $_{2}$ S $_{12}$ (LGPS) nanoparticles show promise for solid-state lithium batteries owing to their enhanced ionic conductivity, though…

cond-mat.mtrl-sci2025

Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO $_{2}$ Battery Design

Mohammed Lemaalem, Selva Chandrasekaran Selvaraj, Ilias Papailias +5

Li-CO $_{2}$ batteries are promising energy storage systems due to their high theoretical energy density and CO $_{2}$ fixation capability, relying on reversible Li $_{2}$ CO $_{3}$ /C formation…

cond-mat.mtrl-sci2024

Exploring the Coexistence of Spin States in [Fe-(tpy-ph) $_{2}$ ] $^{2 +}$ Complexes on Au(111) using ab initio calculations

Naveen K. Dandu, Alex Taekyung Lee, Sergio Ulloa +3

In this work, we systematically study the electronic structure and stability of spin states of the [Fe-(tpy-ph) $_{2}$ ] $^{2 +}$ molecule in both gas phase and on a Au(111) substrate us…

Atomic-Scale Mechanisms of Li-Ion Transport Mediated by Li10GeP2S12 in Composite Solid Polyethylene Oxide Electrolytes

Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO2​ Battery Design

Exploring the Coexistence of Spin States in [Fe-(tpy-ph)2​]2+ Complexes on Au(111) using ab initio calculations

Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO $_{2}$ Battery Design

Exploring the Coexistence of Spin States in [Fe-(tpy-ph) $_{2}$ ] $^{2 +}$ Complexes on Au(111) using ab initio calculations