Kramer, A.; Kaiser, W.; Zhang, B.; Murthy, L.N.S.; Gagliardi, A.; Hsu, J.W.P.; Vandenberghe, W.G..Understanding Morphology Effects on Fill Factor Losses in Dilute-Donor Organic Solar Cells.Nano Energy 107793 In Press Pre-proof 2022-09.2022.Sep

Vigneshwaran, J.; Jose, J.; Thomas, S.; Gagliardi, A.; Thelakkat, M.; Jose, S.P..Flexible quasi-solid-state supercapacitors based on Ti3C2-Polypyrrole nanocomposites.Electrochimica Acta Volume 429, 141051 2022-10.2022.Oct

Plummer, G.; Thomas, S.; Zaeem, M.A.; Tucker, G.J..Bond-order potential for the surface-terminated titanium carbide MXene monolayers Tin+1CnTx (n = 1 , 2 , or 3 ;T = − O or − F).Phys. Rev. B 106, 054105 2022-08.2022.Aug

Hussain, K.; Gagliardi, A..Modelling tandem/multi-junction hybrid perovskite–organic solar cells: A combined drift–diffusion and kinetic Monte Carlo study.Solar Energy Volume 243, Pages 193-202 2022-09.2022.Sep

Thomas, S.; Thulaseedasan, S.; Zaeem, M.A..Surface functionalization effect on physical properties and quantum capacitance of Ca2C MXenes.FlatChem Volume 35, 100414 2022-09.2022.Sep

Namsheer, K.; Thomas, S.; Sharma, A.; Thomas, S.A.; Sree Raj, K.A.; Kumar, V.; Gagliardi, A.; Aravind, A.; Rout, C.S..Rational design of selenium inserted 1T/2H mixed-phase molybdenum disulfide for bifunctional energy storage and pollutant degradation applications.Nanotechnology in press 2022-07.2022.Jul

Katzenmeier, L.; Gößwein, M.; Gagliardi, A.; Bandarenka, A.S..Modeling of Space-Charge Layers in Solid-State Electrolytes: A Kinetic Monte Carlo Approach and Its Validation.J. Phys. Chem. C , XXXX, XXX, XXX-XXX 2022-06.2022.Jun

Gößwein, M.; Kaiser, W.; Gagliardi, A..Local Temporal Acceleration Scheme to Couple Transport and Reaction Dynamics in Kinetic Monte Carlo Models of Electrochemical Systems.J. Chem. Theory Comput. 2022, XXXX, XXX, XXX-XXX 2022-04.2022.Apr

Thomas, S.; Yazdanparast, S.; Hildreth, O.; Zaeem, M.A..Formation energies, electronic properties and elemental diffusion of Cu–Cr–Nb (GRCop) alloys.Physica B: Condensed Matter, 413909 In Press, Journal Pre-proof 2022-04.2022.Apr

Kaiser, W.; Phung, N.; Abate, A.; Gagliardi, A..3D Simulation of Ion Migration within the Microstructure of Perovskite Solar Cells.International Conference on Hybrid and Organic Photovoltaics, Proceedings (HOPV19), presentation 124.Roma, Italy, 14-16 Sep 2022-09.nanoGE Fundació Scito.2022