May 4, 2021
General Dual-Switched Dynamic Singlet Fission Channels in Solvents Governed Jointly by Chromophore Structural Dynamics and Solvent Impact: Singlet Prefission Energetics Analyses
L. J. Xue, X. Y. Song, Y. W. Feng, S. B. Cheng, G. Lu, and Y. X. Bu
May 4, 2021
Bonding similarities and differences between Y-Sb-Te and Sc-Sb-Te phase-change memory materials
Y. X. Zhou, L. Sun, G. M. Zewdie, R. Mazzarello, V. L. Deringer, E. Ma, and W. Zhang
May 4, 2021
Two different mechanisms of stabilization of regular pi-stacks of radicals in switchable dithiazolyl-based materials
T. Francese, S. Vela, M. Deumal, F. Mota, J. J. Novoa, M. F. Camellone, S. Fabris, R. W. A...
May 4, 2021
Glycol ether additives control the size of PbS nanocrystals at reaction completion
P. B. Green, Z. B. Wang, P. Sohn, C. J. Imperiale, O. Voznyy, and M. W. B. Wilson
May 4, 2021
Unveiling interface interaction assisted broadband photoresponse of epitaxial 2D Bi2O2Se on perovskite oxides
Y. J. Guo, Y. K. Song, M. L. Yang, Z. Y. Xu, H. W. Xie, H. Li, Z. J. Li, H. W. Liang, S. C. Ruan,...
May 4, 2021
Hydrogen peroxide synthesis on porous graphitic carbon nitride using water as a hydrogen source
Y. Y. Cao, G. B. Zhou, X. L. Chen, Q. Qiao, C. X. Zhao, X. Sun, X. Zhong, G. L. Zhuang, S. W. Deng...
May 4, 2021
Charge localization and trapping at surfaces in lead-iodide perovskites: the role of polarons and defects
F. Ambrosio, D. Meggiolaro, E. Mosconi, and F. De Angelis
May 4, 2021
Unraveling the synergy between metal-organic frameworks and co-catalysts in photocatalytic water splitting
S. Falletta, P. Gono, Z. D. Guo, S. Kampouri, K. C. Stylianou, and A. Pasquarello
May 4, 2021
Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)
M. J. Thompson, C. L. Hobday, I. Senkovska, V. Bon, S. Ehrling, M. Maliuta, S. Kaskel, and T. Duren
May 4, 2021
Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO2/SiO2 catalysts
S. A. Akhade, A. Winkelman, V. L. Dagle, L. Kovarik, S. F. Yuk, M. S. Lee, J. Zhang, A. B...
May 4, 2021
Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction
S. Bailleul, K. Dedecker, P. Cnudde, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck
May 4, 2021
Iron Adsorption on Clays Inferred from Atomistic Simulations and X-ray Absorption Spectroscopy
A. Keri, R. Dahn, M. M. Fernandes, A. C. Scheinost, M. Krack, and S. V. Churakov
May 4, 2021
Incorporation of Ammonia Borane Groups in the Lithium Borohydride Structure Enables Ultrafast Lithium Ion Conductivity at Room Temperature for Solid-State Batteries
H. Liu, Z. H. Ren, X. Zhang, J. J. Hu, M. X. Gao, H. G. Pan, and Y. F. Liu
May 4, 2021
High Activity toward the Hydrogen Evolution Reaction on the Edges of MoS2-Supported Platinum Nanoclusters Using Cluster Expansion and Electrochemical Modeling
T. T. Yang, T. L. Tan, and W. A. Saidi
May 4, 2021
Origin of Solvent-Induced Polymorphism in Self-Assembly of Trimesic Acid Monolayers at Solid-Liquid Interfaces
O. Ochs, M. Hocke, S. Spitzer, W. M. Heckl, N. Martsinovich, and M. Lackinger
May 4, 2021
Tailoring the Adsorption-Induced Flexibility of a Pillared Layer Metal-Organic Framework DUT-8(Ni) by Cobalt Substitution
S. Ehrling, M. Mendt, I. Senkovska, J. D. Evans, V. Bon, P. Petkov, C. Ehrling, F. Walenszus, A...
May 4, 2021
Engineering Electrical Conductivity in Stable Zirconium-Based PCN-222 MOFs with Permanent Mesoporosity
S. M. Pratik, L. Gagliardi, and C. J. Cramer
May 4, 2021
Controlling Metal-Organic Framework/ZnO Heterostructure Kinetics through Selective Ligand Binding to ZnO Surface Steps
J. H. Tao, M. S. Lee, M. L. Sushko, J. J. De Yoreo, J. Liu, Z. S. Zhang, D. Banerjee, S. Akkineni,...
May 4, 2021
Electronic Structure Engineering Achieved via Organic Ligands in Silicon Nanocrystals
K. Dohnalova, P. Hapala, K. Kusova, and I. Infante
May 4, 2021
Formation of Color Centers in Lead Iodide Perovskites: Self-Trapping and Defects in the Bulk and Surfaces
F. Ambrosio, E. Mosconi, A. A. Alasmari, F. A. S. Alasmary, D. Meggiolaro, and F. De Angelis
May 4, 2021
Structure of Metal-Organic Framework Glasses by Ab Initio Molecular Dynamics
R. Gaillac, P. Pullumbi, T. D. Bennett, and F. X. Coudert
May 4, 2021
Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization
N. Osterbacka, P. Erhart, S. Falletta, A. Pasquarello, and J. Wiktor