Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00639A, PaperGuihong Luo, Ying Yang, Yajie Zhu, Xihong Peng, Li He The two-dimensional (2D) tetrahex-GeC2 nanosheet demonstrates excellent electronic properties such as a finite direct band gap and high carrier mobilities, predicted from theoretical calculations. To further expand its...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00553H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Natalie Golota, Brian Michael, Edward P. Saliba, Sara Linse, Robert G. Griffin Amyloid fibrils have been implicated in the pathogenesis of several neurodegenerative diseases,...

Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00729H, PaperNimmy A. V., Anandakumar V. M., Biju V. The synergistic photocatalysis in anatase/rutile heterophase TiO2 is explained by determining the band alignment and possible charge transfer across the interface using two distinct experimental techniques. To cite this article before...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00655K, PaperXiao-Gang Wang, Tucker Carrington In this paper, we propose a new two-step strategy for computing ro-vibrational energy levels and wavefunctions of a triatomic molecule and apply it to CO$_2$. A two-step method [Mol. Phys.... The content of this RSS Feed (c) The Royal Society...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00980K, PaperTomoya Tashiro, Hajime Suzuki, Keisuke Takahashi 128 organic halide perovskites are systematically investigated using high throughput first principle calculations where Ge and Sn based materials are searched. The results revealed that all calculated materials exhibited...

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00093E, PaperSofia Donnecke, Mathias Paul, Peter J H Williams, Serena Chan, Veronica Tse, Jigyasa Sachdeva, Allen Grayson Oliver, J. Scott McIndoe, Irina Paci Cobaltcarbonyl-tert-butylacetylene (CCTBA) is a conventional precursor for the selective atomic layer deposition of Co onto...