Data-driven Discovery of Novel High-performance Quaternary Chalcogenide Photovoltaics

N. Singh^†, M. Ubaid^†, P. K. Nayak, J. He, D. Ghosh, C. Wolverton, K. Pal

Physical Review Applied, 2026

[Paper] [arXiv] † equal contribution

Hot Carrier Relaxation in Halide Double Perovskites: Insights from Ab Initio Models and Structure-Informed Machine Learning

N. Singh, D. Ghosh

Chemistry of Materials, 37(17), 6697–6707, 2025

[Paper]

High-throughput and data-driven search for stable optoelectronic AMSe₃ materials

N. Singh^†, K. Samanta^†, S. K. Maharana, K. Pal, S. Tretiak, A. Talapatra, D. Ghosh

Journal of Materials Chemistry A, 13(13), 9192–9210, 2025

[Paper] † equal contribution

Defect-Driven Surface and Electronic Structure Modulation in Alloyed Bismuth Chalcogenide Nanosheets for CO₂ Reduction

M. S. Hassan, B. Khan, N. Singh, et al.

ACS Nano, 2026

[Paper]

A Homochiral Neutral Organic Molecule as Active Ferroelectric for Memtransistor

R. Samanta, R. Panday, A. Sahoo, N. Singh, K. R. Khator, et al.

Advanced Functional Materials, 2501546, 2025

Tuning Hot Carrier Dynamics in Vacancy-Ordered Halide Perovskites through Lattice Compression

B. Kamboj, N. Singh, P. K. Nayak, D. Ghosh

ACS Materials Letters, 7(4), 1547–1554, 2025

Transition Metal-Based Perovskite Derivatives for Selective CO₂ Photoreduction

S. Choudhary, N. K. Tailor, G. Venkanna, N. Singh, et al.

Small, 21(12), 2409961, 2025

Effect of β-stabilizer niobium on diffusional properties of the BCC β-Ti(Al) phase

S. Mehrotra, N. Singh, D. Ghosh, S. Santra

Scripta Materialia, 263, 116695, 2025

Interstitial Copper Doping in Cs₃Bi₂Br₉: A Pathway to Enhanced Radiation Detection Performance

N. K. Tailor, J. Ghosh, N. Singh, et al.

ACS Applied Materials & Interfaces, 2025

Nonradiative Recombination of Excitons in Periodic Solids

A. Forde, C. Mora-Perez, N. Singh, D. Ghosh, et al.

The Journal of Physical Chemistry Letters, 16, 5929–5937, 2025

Unveiling the mechanisms of photoluminescence quantum yield surge in Cs₂AgInCl₆ nanocrystals

R. Singh, A. Singh, N. Singh, S. Kumar, D. Ghosh, S. Sapra

The Journal of Physical Chemistry C, 129(33), 14941–14948, 2025

Enhanced Emission in Core@Shell Heterostructure of 3D Halide Double Perovskites

R. Singh, A. Singh, G. Sharma, N. Singh, et al.

Angewandte Chemie International Edition, 64(46), e202510774, 2025

Unraveling A-Site Cation Control of Hot Carrier Relaxation in Vacancy-Ordered Halide Perovskites

B. Kamboj, P. K. Nayak, N. Singh, D. Ghosh

Small, e07018, 2025

Exploring the Feasibility of Copper Incorporation in Halide Perovskites

N. K. Tailor, S. Singh, N. Singh, et al.

Advanced Energy Materials, 14(39), 2402087, 2024