Book Chapters:

• S. Sahoo et al., Nucleation, structure and magnetism of transition metal clusters from first principles, Nanoparticles form the Gas Phase, A. Lorke, M. Winterer, R. Schmechel, and C. Schulz (eds.), NanoScience and Technology Series, Springer-Verlag Berlin Heidelberg, 2012.
• G. Rollmann, S. Sahoo et al., Structure and magnetism in iron cluster, Nanoscale Materials: From Science to Technology, S. N. Sahu, R. K. Choudhury, and P. Jena (eds.), Nova Science, New York, 2006.
• P. Entel, .., S. Sahoo et.al., Probing glassiness in Heuslers via density functional theory calculations, Frustrated Materials and Ferroic Glasses, T. Lookman and X. Ren (eds.), Springer Series in Materials Science, 2018.

Selected Publications:

Y. Wang, J. Moncada, S. Sahoo, K. Deng, X. Chen, P. Liu, H. Zhu, J. J. Bravo-Suárez, A. Martínez-Arias, J. A. Rodriguez, Transient Studies of CO2 Adsorption over CeO2 Nanostructures with In Situ DRIFTS and Modulation Excitation, The Journal of Physical Chemistry C, 129, 22363 (2025).

S. G. Kwon, S. Chattopadhyay, T. Shibata, G. Krylova, S. Sahoo, A Filatov et al., Surface engineering of Pt nanocatalysts with transition metal oleates for selective catalysis: a case study on the hydrogenation of α, β-unsaturated aldehydes, Nanoscale, 17, 9391 (2025).

S. Sahoo et.al., A review on transition metal oxides in catalysis, Frontiers in Chemistry, 12, 1374878 (2024).

J. Macharia et al., Arsenate Anion–π Interactions on Amine-Modified Polydivinylbenzene in Aqueous Systems: Experimental and Theoretical Investigation, Langmuir, 40, 1150 (2024).

X. Wang, S. Sahoo et. al.,, Deciphering electrochemical interactions in metal-polymer catalysts for CO2 reduction, Energy Environ. Sci., 16, 4388 (2023).

T. K. Reid, B. Yavas, S. Sahoo, and S. P. Alpay, Topological variations in aluminum-silicon alloys through inoculation with alkali earth elements: A first-principles study, Script. Mater, 234, 115574 (2023).

M. V. Pagliaro, C. Wen, B. Sa, B. Liu, M. Bellini, F. Bartoli, S. Sahoo, R. K. Singh, S. P. Alpay, H. A. Miller, D. R. Dekel, Improving Alkaline Hydrogen Oxidation Activity of Palladium through Interactions with Transition-Metal Oxides, ACS Catal., 12, 10894 (2022).

S. Bamonte, S. Shubhashish, H. Khanna, S. Shuster, S. J. B. Rubio, S. L. Suib, S. P. Alpay, S. Sahoo, Magnetically Doped Molybdenum Disulfide Layers for Enhanced Carbon Dioxide Capture, ACS Appl. Mater. Interfaces, 14, 27799 (2022).

W. Wang, Z. Chen, X. Yang, P. Audebert, S. Sahoo, J. Chen, Y. Liu, S. P. Alpay, L. Xie, G. Wei, Potassium cyamelurate K3 [C6N7O3] rod: a new visible-light photocatalyst for homogeneous/heterogeneous degradation of antibiotics, Appl. Catal. A 641, 118669 (2022).

R. S. Uwanyuze, S. P. Alpay, S. Schafföner, S. Sahoo, A First Principles Analysis of Oxidation in Titanium Alloys with Aluminum and Vanadium, Surf. Sci. 719, 122026 (2022).

S. Sahoo, D. R, Dekel, R. Maric, S. P. Alpay, Atomistic Insights into the Hydrogen Oxidation Reaction of Palladium-Ceria Bifunctional Catalysts for Anion-Exchange Membrane Fuel Cells, ACS Catalysis, 11, 2561 (2021).

E.B. Curry, S. Sahoo, C. Herrera, I. Sochnikov, S. P. Alpay, R. J. Hebert, B. G. Willis, J. Qi, J. N. Hancock, Optical response of nickel-based superalloy Inconel–718 for applications in additive manufacturing, Journal of Applied Physics, 127, 245111 (2020).

D. Trujillo, A. Ghosh, S. Nakhmanson, S. Sahoo, S. P. Alpay, Surface Structure and energetics of low index facets of bismuth ferrite, Physical Chemistry and Chemical Physics, 22, 16400 (2020)

Li, C. Schulthess, K. Co, S. Sahoo, and P. Alpay, Influence of octahedral cation distribution in montmorillonite on interlayer hydrogen counter-ion retention strength by DFT simulation, Clays and Clay minerals, 67, 449 (2020).

S. Sahoo, P. Alpay, R. Hebert, Surface phase diagrams of titanium in oxygen, nitrogen and hydrogen environments: A first principles analysis, Surface Science, 677, 18 (2018).

S. Sahoo, S. L. Suib, P. Alpay, Graphene supported single atom transition metal catalysts for methane activation, ChemCatChem, 10, 3229 (2018).

P. Entel, M. E. Gruner, S. Faehler, M. Acet, A Cakir, R. Arroyave, S. Sahoo, T. C. Duong, A. Talapatra, L. Sandratskii, S. Mankowsky, T. Gottschall, O. Gutfleisch, P. Lazpita, V. A. Chernenko, J. M. Barandiaran, V. V. Sokolovskiy, V. D. Buchelnikov, Probing structural and magnetic instabilities and hysteresis in heuslers by density functional theory calculations, Physica Status Solidi B 255, 1700296 (2018).

B. Dutta, S. March, L. Achola, S. Sahoo, J. He, A. S. Amin, Y. Wu, S. Poges, S. P. Alpay, and S. L. Suib, Mesoporous cobalt/manganese oxide: a highly selective bifunctional catalyst for amine–imine transformations, Green Chemistry 20, 3180 (2018).

R. Miao, B. Dutta, S. Sahoo, S. A. Cetegen, J. He, W. Zhong, T. Jiang, S. P. Alpay, and S. L. Suib, Mesoporous iron sulphide for highly efficient electrocatalytic hydrogen evolution, Journal of American Chemical Society 139, 13604 (2017).

T. Jafari, E. Moharreri, P. Toloueinia, A. S. Amin, S. Sahoo, N. Khakpash, I. Noshadi, S. P. Alpay and S. Suib, Microwave-assisted synthesis of amine functionalized mesoporous polydivinylbenzene for CO2 adsorption, Journal of CO2 Utilization 19, 79 (2017).

R. Miao, J. He, S. Sahoo, Z. Luo, W. Zhong, C. Wei, S. Chen, T. Jafari, B. Dutta, M. Wang, S. P. Alpay and S. Suib, Reduced graphene oxide supported nickel-manganese-cobalt spinel ternary oxide nanocomposites and their chemical-converted sulphide nanocomposite as efficient electrocatalysts for alkaline water splitting, ACS Catalysis 819, 7 (2017).

S. Sahoo, A. C. Reber and S. N. Khanna, Effect of location and filling of d-states on methane activation in single site Fe-based catalysts, Chemical Physics Letters 660, 48 (2016).

V. Chauhan, S. Sahoo and S. N. Khanna, Ni9Te6(PEt3)8C60 as a Superatomic Superalkali Superparamagnetic Cluster Assembled Material (S3-CAM), Journal of American Chemical Society 138, 1916 (2016).

S. Sahoo, A. C. Reber and S. N. Khanna, Conceptual basis for understanding C-C bond activation in ethane by second row transition metal carbides, Journal of Physical Chemistry A 119, 12855 (2015).

S. Sahoo, S. N. Khanna, and P. Entel, Controlling the magnetic anisotropy of Ni cluster supported on graphene flakes with topological defects, Applied Physics Letters 107, 043102 (2015).

S. Sahoo, M. F. Islam, and S. N. Khanna, Using graphene to control magnetic anisotropy and interaction between supported clusters, New Journal of Physics. 17, 053052 (2015).

S. Sahoo, M. E. Gruner, S. N. Khanna, and P. Entel, First-principles studies on graphene-supported transition metal clusters, Journal of Chemical Physics 141, 074707 (2014).

V. Sokolovskiy, V. D. Buchelnikov, M. A. Zagrebin, P. Entel, S. Sahoo, and M. Ogura, First-principles investigation of chemical and structural disorder in magnetic Ni2Mn1+xSn1-x Heusler alloys, Physical Review B 86, 134418 (2012).

S. Sahoo, A. Hucht, S. Sil, and P. Entel, Exact diagonalization study of quantum spin clusters, AIP Conference Proceedings 1461, 199 (2012).

P. Entel, S. Sahoo, M. Siewert, M. E. Gruner, H. C. Herper, D. Comtesse, M. Acet, V. D. Buchelnikov, and V. V. Solovskiy, First-principles principles investigations of caloric effects in ferroic materials, AIP Conference Proceedings 1461, 11 (2012).

A. Hucht, S. Sahoo, S. Sil, and P. Entel, Effect of anisotropy on small magnetic clusters, Physical Review B 84, 104438 (2011).

P. Entel, S. Sahoo, A. Hucht, and M. E. Gruner, From tiny magnetic clusters to functional materials, AIP Conference Proceedings 1393, 50 (2011).

S. Sahoo, A. Hucht, M. E. Gruner, G. Rollmann, and P. Entel, A. Postnikov, J. Ferrer, L. Fernandez-Seivane, M. Richter and D. Fritsch and S. Sil, Magnetic properties of small Pt-capped Fe, Co, and Ni clusters: A density functional theory study, Physical Review B 82, 054418 (2010).

G. Rollmann, S. Sahoo, A. Hucht, and P. Entel, Magnetism and chemical ordering in binary transition metal cluster, Physical Review B 78, 134401 (2008).

P. Entel, M. E. Gruner, A. Hucht, R. Meyer, G. Rollmann, and S. Sahoo, Simulating structure, magnetism and electronic properties of monoatomic, binary and ternary transition metal nanoclusters, AIP Conference Proceedings 1063, 3 (2008).

P. Entel, M. E. Gruner, G. Rollmann, A. Hucht, S. Sahoo, A. T. Zayak, H. C. Herper, and A. Dannenberg, First-principles investigations of multi-metallic transition metal clusters, Philosophical Magazine 88, 2725 (2008).

S. Sahoo, G. Rollmann and P. Entel, Segregation and ordering in binary transition metal clusters, Phase Transitions 79, 693 (2006).

M. E. Gruner, G. Rollmann, S. Sahoo, and P. Entel, Magnetism of close packed Fe147 clusters, Phase Transitions 79, 701 (2006).

G. Rollmann, P. Entel, and S. Sahoo, Competing structural and magnetic effects in small iron clusters, Computational Materials Science 35, 275 (2006).

S. Sahoo, G. Rollmann and P. Entel, First-principles calculation of cluster geometries and magnetization of pure Ni and Fe–Ni clusters, Phase Transitions 78, 723 (2005).

Rollmann, S. Sahoo and P. Entel, Structural and magnetic properties of Fe–Ni clusters, Physica Status Solidi A 201, 3263 (2004).

R. K. Das, S. Sahoo, and G. S. Tripathi, Electronic structure of high density carrier states in PbS, PbSe and PbTe, Semiconductor Science & Technology 19, 4333 (2004).