Ferroelectrically driven spatial carrier density modulation in graphene C Baeumer, D Saldana-Greco, JMP Martirez, AM Rappe, M Shim, ...
Nature communications 6 (1), 6136, 2015
197 2015 Polarization Dependence of Water Adsorption to CH3 NH3 PbI3 (001) Surfaces NZ Koocher, D Saldana-Greco, F Wang, S Liu, AM Rappe
The journal of physical chemistry letters 6 (21), 4371-4378, 2015
139 2015 Improved pseudopotential transferability for magnetic and electronic properties of binary manganese oxides from JS Lim, D Saldana-Greco, AM Rappe
Physical Review B 94 (16), 165151, 2016
46 2016 Material innovation in advancing organometal halide perovskite functionality F Zheng, D Saldana-Greco, S Liu, AM Rappe
The journal of physical chemistry letters 6 (23), 4862-4872, 2015
43 2015 Ab Initio Simulation Explains the Enhancement of Catalytic Oxygen Evolution on CaMnO3 T Qiu, B Tu, D Saldana-Greco, AM Rappe
ACS Catalysis 8 (3), 2218-2224, 2018
39 2018 Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral JS Lim, D Saldana-Greco, AM Rappe
Physical Review B 97 (4), 045115, 2018
19 2018 Enhanced charge ordering transition in doped L Jiang, D Saldana-Greco, JT Schick, AM Rappe
Physical Review B 89 (23), 235106, 2014
15 2014 Surface chemically switchable ultraviolet luminescence from interfacial two-dimensional electron gas MA Islam, D Saldana-Greco, Z Gu, F Wang, E Breckenfeld, Q Lei, R Xu, ...
Nano letters 16 (1), 681-687, 2016
14 2016 Electronic transition above room temperature in CaMn7O12 films A Huon, AC Lang, D Saldana-Greco, JS Lim, EJ Moon, AM Rappe, ...
Applied physics letters 107 (14), 2015
14 2015 Coupling between octahedral rotations and local polar displacements in JT Schick, L Jiang, D Saldana-Greco, AM Rappe
Physical Review B 89 (19), 195304, 2014
14 2014 Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for ortho -, meta - and para -Benzyne K Vu, J Pandian, B Zhang, C Annas, AJ Parker, JS Mancini, EB Wang, ...
The Journal of Physical Chemistry A 128 (37), 7816-7829, 2024
2 2024 Chemically switchable ultraviolet photoluminescence JE Spanier, GU Zongquan, MA Islam, D Saldana-greco, AM Rappe
1 2015 A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals J Pandian, K Vu, JT Muya, A Parker, CMF Ancajas, D Saldana‐Greco, ...
Journal of Computational Chemistry 46 (3), e70044, 2025
2025 Making connections: Theory and modeling to link mechanical, electronic, and optical properties of hybrid/halide perovskites A Rappe, F Zheng, LZ Tan, D Saldana-Greco, R Katti, L Kronik, D Egger, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016 First principles studies of magnetic oxides, spin-driven ferroelectricity, and the effect of polarization in the chemistry of functional heterointerfaces D Saldana-Greco
University of Pennsylvania, 2016
2016 Surface chemically-switchable ultraviolet luminescence from interfacial two-dimensional electron gas JE Spanier, MI Islam, D Saldana-Greco, Z Gu, F Wang, E Breckenfeld, ...
APS March Meeting Abstracts 2016, H30. 007, 2016
2016 Magnetically induced polarization in charge-ordered CaMn7O12 JS Lim, D Saldana-Greco, A Rappe
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015
2015 Structural and Magnetic Reconstruction of Thermodynamically Stable CaMnO D Saldana-Greco, CW Lee, D Yuan, AM Rappe
arXiv preprint arXiv:1504.05251, 2015
2015 Magnetic-induced polarization in charge-ordered CaMn7O12 system D Saldana-Greco, JS Lim, AM Rappe
APS March Meeting Abstracts 2015, L32. 006, 2015
2015 Carrier Density Modulation in the Graphene/Ferroelectric Interface D Saldana-Greco, C Baeumer, M Shim, LW Martin, AM Rappe
APS March Meeting Abstracts 2014, D53. 015, 2014
2014 