Metastable Ionics, Interfaces, and Data-Guided Materials Discovery

Colloidal Nanocrystals • Solid Electrolytes • X-ray and electron microscopy • Electrochemical transport• Data-guided discovery

Journal Papers

prognaphy
4–6 minutes

PBEnergylab independently led peer-REVIEWED (or in peer-review) manuscripts: arranged by date of first SUBMISSION to journals

This section highlights manuscripts developed through Prof. Banerjee’s independent research program. Prof. Banerjee serves as corresponding author and sole faculty PI for these works unless otherwise indicated. *Corresponding author †Invited contribution

Research areas represented: #Metastable_nanocrystal_synthesis, #Nanoionics, #Chalcogenide_nanocrystals, #Phase_mapping, #SolidElectrolytes, #Polymer–NC_Electrolytes, #Printable_Materials, #Interphases, #Strain_Defects, #Data-Guided_Discovery, #Advanced_Characterization, #Electrocatalysis, #Nitrate_Reduction, #Reviews_Perspectives, #Lithiation_chemistry

2026

33. Copper Vacancies Govern Lithium Interphase Evolution in Nanocrystal-Derived Cu–B–Se Electrolytes, Saliu, O., Banerjee, P.*(Corresponding author), in review, 2026.
One-line summary: Copper-vacancy concentration directs lithium-driven phase evolution and interphase formation in nanocrystal-derived Cu–B–Se solid-electrolyte materials.
#SolidElectrolytes, #Interphases, #Lithiation_chemistry, #Chalcogenide_nanocrystals
32. Writing Ion-Transport Networks through Colloidal Pathways for Solid Electrolytes, Banerjee, P.†*(Corresponding author), in review, 2026.
†Invited contribution to ACS Materials Au 2026 Rising Stars in Materials Science VSI
One-line summary: This invited Rising Stars contribution examines how colloidal synthesis, nanocrystal coupling, and interfacial design can be used to build ion-transport networks in solid electrolytes.
#SolidElectrolytes, #Interphases, #Nanoionics, #Reviews_Perspectives
31. Contrasting Strain Topologies in Ag₄Zr₃S₈ and AgZrSe₂ Nanocrystals Reveal a Microscopic Basis for Superionic Transport, Banerjee, P.*(Corresponding author), in review, 2026.
Preprint DOI:
One-line summary: Comparative strain mapping reveals how nanoscale lattice distortion and phase-dependent strain topology influence ion-transport pathways in Ag-based chalcogenide nanocrystals.
#Nanoionics, #Strain_Defects, #Advanced_Characterization, #Chalcogenide_nanocrystals
30. Interphases in Polymer–Nanocrystal Electrolytes: Lessons from Metal-Chalcogenide Composites, Saliu, O., Banerjee, P.† *(Corresponding author), in review, 2026.
†Invited contribution to ACS Applied Polymer Materials
One-line summary: This invited review analyzes how polymer–nanocrystal interphases, surface chemistry, and mesoscale connectivity govern ion transport in composite electrolyte systems.
#Interphases, #Polymer–NC_Electrolytes, #Printable_Materials, #Reviews_Perspectives, #Chalcogenide_nanocrystals
29. Strain-Programmed Nanoionics in Printable Superionic Nanocrystal–Biopolymer Inks, Saliu, O., Witczak, C., Banerjee, P.*(Corresponding author), in review, 2026.
Preprint DOI:
One-line summary: Printable nanocrystal–biopolymer inks show how strain, processing, and nanocrystal connectivity can be coupled to tune ion transport in solution-processable electrolyte films.
#Nanoionics, #Polymer–NC Electrolytes, #Strain_Defects, #Printable_Materials, #Chalcogenide_nanocrystals
28. Refinement-Free Structural Descriptors for Interpretable Machine Learning of Ionic Conductivity in Metastable Chalcogenide Nanocrystals, Plesca, M., Banerjee, P.*(Corresponding author), in review, 2026.
One-line summary: Interpretable structural descriptors extracted without full crystallographic refinement enable machine-learning analysis of ionic conductivity trends in metastable chalcogenide nanocrystals.
#Data-Guided_Discovery, #Nanoionics, #Chalcogenide_nanocrystals, #Metastable_nanocrystal_synthesis
27. Mapping Kinetic Phase Selection in a Colloidal Library of Metastable Silver Multinary Chalcogenide (M = Zr, Cr, Sn, Sb) Nanocrystals , Xu, Y., Campbell, I., Choudhary, S., Saliu, O., Banerjee, P.*(Corresponding author), in review, 2026.
Preprint DOI:
One-line summary: A colloidal synthesis library maps how metal identity, reaction pathway, and kinetic control govern access to metastable silver multinary chalcogenide nanocrystals.
#Metastable_nanocrystal_synthesis, #Chalcogenide_nanocrystals, #Phase_mapping, #Nanoionics, #Advanced_Characterization
26. Colloidal La–Zr–O Nanophases Reveal an Amorphous-to-Pyrochlore Transformation that Precludes LLZO Formation, Malliakas, C., Choudhary, S., Banerjee, P.*(Corresponding author), The Journal of Physical Chemistry C, 130, 22, 7735–7745, 2026. https://doi.org/10.1021/acs.jpcc.6c00757
Preprint DOI: 10.26434/chemrxiv.10001476/v1
One-line summary: Colloidal La-Zr-O nanophases crystallize into pyrochlore-related local order during ligand removal, but their ionic transport remains dominated by interparticle interphases rather than bulk lattice diffusion.
#SolidElectrolytes, #Interphases, #Advanced_Characterization, #Chalcogenide_nanocrystals
25. Pressure-Resolved Impedance Reveals Contact-Limited Nanoionics in Nanocrystal-Derived Solid Electrolytes, Xu, Y., Campbell, I., Cooper, O., Choudhary, S., Saliu, O., Banerjee, P.*(Corresponding author), in review, 2026.
Preprint DOI: 10.26434/chemrxiv-2026-t7qrx
One-line summary: A pressure–temperature impedance framework disentangles intrinsic nanoionic transport from contact-limited conduction in nanocrystal-derived solid electrolytes.
#Nanoionics, #SolidElectrolytes, #Interphases, #Chalcogenide_nanocrystals
Reproduced from our preprint “Pressure-Resolved Impedance Reveals …” (DOI:10.26434/chemrxiv-2026-t7qrx). License:  CC BY NC ND 4.0 (authors retain copyright). No publisher formatting.

2025

24. Lattice Alkali in Cu₃N Reprograms Interfacial Electronics for Selective Aqueous Nitrate-to-Ammonia, Saliu, O., Banerjee, P.*(Corresponding author), in review, 2026.
Current Preprint DOI: 10.26434/chemrxiv-2026-k2dn5
Note on versions: This preprint supersedes our earlier data-rich preprint focused on Na-electrolyte experiments (10.26434/chemrxiv-2025-3zqxg). This previous version will not be submitted for peer review. Please cite the current preprint.
One-line summary: We encode interfacial electrostatics in Cu₃N nanocrystal films via Na lattice modification and Li-induced amorphization, to shift PZC/Cdl, lower Rct, and increase NH₃ selectivity and rates in NO₃RR.
#Electrocatalysis, #Interphases, #Nitrate_Reduction
Reproduced from our preprint “Lattice Alkali in Cu₃N Reprograms …” (DOI: 10.26434/chemrxiv-2026-k2dn5). License:  CC BY NC ND 4.0 (authors retain copyright). No publisher formatting.
23. Charge transport in functional ligand capped nanocrystals and nanoclusters for energy applications Saliu, O., Powar, N., Xu, Y., Zervos, K., Campbell, I., Banerjee, P.*(Corresponding author), Nano Energy, 111351, 2025. 10.1016/j.nanoen.2025.111351
One-line summary: Reviews the fundamental mechanisms of electronic and ionic transport in ligand-functionalized nanocrystals and clusters to guide the design of next-generation energy storage systems.
#Nanoionics, #Interphases, #Reviews_Perspectives
22. Colloidal Hot‐Injection Synthesis of CuBSe2 Nanocrystals: Tetragonal Chalcogenide Templates for Superionic Lithiation Pathways Xu, Y., Powar, N., Zervos, K., Campbell, I., Choudhary, S., Al‐Khaled, L., Banerjee, P.*(Corresponding author), Small Structures, 2500238, 2025. https://doi.org/10.1002/sstr.202500238
This article also appears in the series Functional Nanostructures: Materials to Application in this journal
One-line summary: Demonstrates the first colloidal hot-injection synthesis of superionic CuBSe2 nanocrystals, establishing a new tetragonal chalcogenide template for fast-ion conduction in solid-state electrolytes.
#Metastable_nanocrystal_synthesis, #SolidElectrolytes, #Lithiation_chemistry

Foundational peer-reviewed (or in peer-review) manuscripts from prior scientific training

21. Oriented attachment in halide perovskite nanoplatelets with functional chiral organic ligands, Banerjee, P.* (Corresponding author) et. al., to be submitted, 2026.
20. Strong Effect of Nonpolar Solvent Molecular Structure on CdSe Nanoplatelet Stacking, Banerjee, P., Dutta, S., Lin, Y., Wen, J., Lee, B., Diroll, B.T., Rowland, C.E., Schaller, R., Zuo, X., Claro, P.C.S., Valleix, R., Wagnon, B., Abecassis, B., Lin, X-M., Shevchenko, E.V. Nanoscale, 2026, in press.
DOI: https://doi.org/10.1039/D6NR00826G
19. Synthesis of multicomponent oxygen evolution reaction coatings via block copolymer templating with vapor-and solution-phase precursors Omotosho, K.D., Ozoude, C., Gurung, V. Banerjee, P., Filatov, A.S., Shevchenko, E.V. Berman, D. Journal of Colloid and Interface Science, 139078, 2025.
18. Compressibility Studies of Copper Selenides Obtained by Cation Exchange Reaction Revealing the New CsCl Phase Banerjee, P.* (Corresponding author) Nano Letters, 24, 23, 6981, 2024.
17. Self-Cleaning Highly Porous TiO2 Coating Designed by Swelling-Assisted Sequential Infiltration Synthesis (SIS) of a Block Copolymer Template Omotosho, K.D., Gurung, V. Banerjee, P., Shevchenko, E.V. Berman, D. Polymers, 16, 3, 308, 2024.
16. Mechanistic Insights into Copper (I) and Copper (II) Cation Exchange Reactions in CdSe Nanoplatelets Banerjee, P.* (Corresponding author) Filatov, A.S., Zuo, X., Diroll, B.T., Shevchenko, E.V. Chemistry of Materials, 35, 21, 8872, 2023.
15. Prioritizing mentorship as scientific leaders Deng, J.M., et.al., Banerjee, P., et. al., ACS Central Science, 10, 2, 209, 2024.
Special article summarizing the experiences and suggestions from our 2022 ACS CAS Future Leaders Cohort
14. Nanostructure-Derived Antireflectivity in Leafhopper Brochosomes Banerjee, P.* (Corresponding author) Burks, G.R., Bialik, S.B., Nassr, M., Bello, E., Alleyne, M., Freeman, B.D., Barrick, J.E., Schroeder, C.M., Milliron, D.J. Advanced Photonics Research, 2200343, 2023.
13. Optical anisotropy of CsPbBr3 perovskite nanoplatelets Diroll, B.T., Banerjee, P., Shevchenko, E.V. Nano Convergence, 10, 1, 2023.
12. Symmetry-breaking in patch formation on triangular gold nanoparticles by asymmetric polymer grafting Kim, A., Vo, T., An, H., Banerjee, P., Yao, L., Zhou, S., Kim, C., Milliron, D.J., Glotzer, S.C., Chen, Q. Nature Communications , 13, 6774, 2022.
11. Beyond NMF: Advanced Signal Processing and Machine Learning Methodologies for Hyperspectral Analysis in EELS Hachtel, J., Borodinov, N., Roccapriore, K., Cho, S.H., Banerjee, P., Milliron, D.J., Ovchinnikova, O., Ziatdinov, M., Kalinin, S., Vasudevan, R. Microscopy and Microanalysis, 27, S1, 322, 2021.
10. Enhancing hyperspectral EELS analysis of complex plasmonic nanostructures with pan-sharpening Borodinov, N., Banerjee, P., Cho, S.H., Milliron, D.J., Ovchinnikova, O.S., Vasudevan, R.K., Hachtel, J.A. The Journal of Chemical Physics, 154, 1, 2021.
JCP Editors’ Choice 2021 , Spectroscopy and Microscopy of Plasmonic Systems
9. In-situ electron microscopy mapping of an order-disorder transition in a superionic conductor Heo, J., Torres, D.D., Banerjee, P., Jain, P.K. Nature Communications , 10, 1505, 2019.
8. Mechanism of sulfidation of small zinc oxide nanoparticles Banerjee, P., Jain, P.K. RSC Advances, 8, 34476, 2018.
7. Lithiation of copper selenide nanocrystals Banerjee, P., Jain, P.K. Angewandte Chemie, 130, 30, 9459, 2018.
6. STM Imaging of Localized Surface Plasmons on Individual Gold Nanoislands Nguyen^, H.A., Banerjee^, P., Nguyen, D., Lyding, J.W., Gruebele, M., Jain, P.K. The Journal of Physical Chemistry Letters, 9, 8, 2018.
5. A non-natural wurtzite polymorph of HgSe: a potential 3D topological insulator Torres, D.D., Banerjee, P., Pamidighantam, S., Jain, P.K. Chemistry of Materials, 29, 15, 6356, 2017.
4. Liquid-like cationic sub-lattice in copper selenide clusters White^, S.L., Banerjee^, P., Jain, P.K. (^ equal contribution) Nature Communications, 14514, 2017.
UIUC NEWS BUREAU PRESS RELEASE: TINY NANOCLUSTERS COULD SOLVE BIG PROBLEMS FOR LITHIUM ION BATTERIES link
SMITHSONIAN MAGAZINE STORY: CHARGING AHEAD: THE FUTURE OF BATTERIES link
R&D MAGAZINE HIGHLLIGHT: NANOCLUSTERS HELP IMPROVE LITHIUM ION BATTERIES link
AZONANO STORY: NANOCLUSTERS AND THE FUTURE OF LITHIUM BATTERIES link
HIGHLIGHTED ON CEMAG LAYERED GRAPHENE, IMAGING NEMATODES, PREVENTING BATTERY EXPLOSIONS link
ALSO FEATURED ON PHYSORG, EUREKALERT, AND OTHER SCIENCE MEDIA OUTLETS
3. Ion exchange transformation of magic-sized clusters White, S.L., Banerjee, P., Chakraborty, I., Jain, P.K. Chemistry of Materials, 28, 22, 83891, 2016.
ACS AUTHOR CHOICE ARTICLE
2. Polarization-dependent surface-enhanced raman scattering activity of anisotropic plasmonic nanorattles Liu, K-K., Tadepalli, S., Kumari, G., Banerjee, P., Tian, L., Jain, P.K., Singamaneni, S. The Journal of Physical Chemistry C, 120, 30, 16899, 2016.
1. Electrical spin extraction and giant positive junction magnetoresistance in a Fe3O4/MgO/n-Si magnetic diode like heterostructure Panda, J., Banerjee, P., Nath, TK. Journal of Physics D: Applied Physics, 47, 41, 415103, 2014.