May 7, 2021
Insights into the fabrication and structure of plutonium pyrochlores
S. Finkeldei, M. C. Stennett, P. M. Kowalski, Y. Ji, E. de Visser-Tynova, N. C. Hyatt, D. Bosbach,...
May 7, 2021
Is Cs2TiBr6 a promising Pb-free perovskite for solar energy applications?
J. Euvrard, X. M. Wang, T. Y. Li, Y. F. Yan, and D. B. Mitzi
May 7, 2021
Multidimensional Na4VMn0.9Cu0.1(PO4)(3)/C cotton-candy cathode materials for high energy Na-ion batteries
V. Soundharrajan, M. H. Alfaruqi, S. Lee, B. Sambandam, S. Kim, S. Kim, V. Mathew, D. T. Pham, J. Y...
May 7, 2021
Addressing the OER/HER imbalance by a redox transition-induced two-way electron injection in a bifunctional n-p-n electrode for excellent water splitting
H. Anwer and J. W. Park
May 5, 2021
Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation
H. Elgabarty, T. Kampfrath, D. J. Bonthuis, V. Balos, N. K. Kaliannan, P. Loche, R. R. Netz, M...
May 5, 2021
Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface
J. B. Le, Q. Y. Fan, J. Q. Li, and J. Cheng
May 5, 2021
Thin-film composite membrane breaking the trade-off between conductivity and selectivity for a flow battery
Q. Dai, Z. Q. Liu, L. Huang, C. Wang, Y. Y. Zhao, Q. Fu, A. M. Zheng, H. M. Zhang, and X. F. Li
May 5, 2021
Edge stabilization in reduced-dimensional perovskites
L. Quan, D. X. Ma, DY. B. Zhao, O. Voznyy, H. F. Yuan, E. Bladt, J. Pan, F. P. G. de Arquer, R...
May 5, 2021
Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from gold
V. V. Welborn, W. T. Li, and T. Head-Gordon
May 5, 2021
Charge transfer as a ubiquitous mechanism in determining the negative charge at hydrophobic interfaces
E. Poli, K. H. Jong, and A. Hassanali
May 5, 2021
Van der Waals interfacial reconstruction in monolayer transition-metal dichalcogenides and gold heterojunctions
R. C. Luo, W. W. Xu, Y. Z. Zhang, Z. Q. Wang, X. D. Wang, Y. Gao, P. Liu, and M. W. Chen
May 5, 2021
Molecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space
N. Wang, Y. C. Zhi, Y. X. Wei, W. N. Zhang, Z. Q. Liu, J. D. Huang, T. T. Sun, S. T. Xu, S. F. Lin...
May 5, 2021
Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
A. Riss, M. Richter, MA. P. Paz, X. Y. Wang, R. Raju, Y. Q. He, J. Ducke, E. Corral, M. Wuttke, K...
May 5, 2021
Introducing the crystalline phase of dicalcium phosphate monohydrate
B. Q. Lu, T. Willhammar, B. B. Sun, N. Hedin, J. D. Gale, and D. Gebauer
May 5, 2021
Structure and chemistry of graphene oxide in liquid water from first principles
F. Mouhat, Fì. X. Coudert, and M. L. Bocquet
May 5, 2021
Unveiling phonons in a molecular qubit with four-dimensional inelastic neutron scattering and density functional theory
E. Garlatti, L. Tesi, A. Lunghi, M. Atzori, D. J. Voneshen, P. Santini, S. Sanvito, T. Guidi, R...
May 5, 2021
Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding
J. Lawrence, G. C. Sosso, L. Dordevic, H. Pinfold, D. Bonifazi, and G. Costantini
May 5, 2021
Ab initio phase diagram and nucleation of gallium
H. Y. Niu, L. Bonati, P. M. Piaggi, and M. Parrinello
May 4, 2021
Spherical trihedral metallo-borospherenes
T. T. Chen, W. L. Li, W. J. Chen, X. H. Yu, X. R. Dong, J. Li, and L. S. Wang
May 4, 2021
Charge transport in semiconductors assembled from nanocrystal quantum dots
N. Yazdani, S. Andermatt, M. Yarema, V. Farto, M. H. Bani-Hashemian, S. Volk, W. M. M. Lin, O...