14 citations · 16 across the 4 of their papers we have counts for
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Change in Magnetic Order in NiPS3 Single Crystals Induced by a Molecular Intercalation
Nirman Chakraborty, Adi Harchol, Azhar Abu-Hariri +8
Intercalation is a robust method for tuning the physical properties of a vast number of van der Waals (vdW) materials. However, the prospects of using intercalation to modify magne…
Tuning the Planarity of an Aromatic Thianthrene-Based Molecule on Au(111)
Kwan Ho Au-Yeung, Suchetana Sarkar, Sattwick Haldar +9
Non-planar aromatic molecules are interesting systems for organic electronics and optoelectronics applications due to their high stability and electronic properties. By using scann…
Tailoring Photocatalytic Water Splitting Activity of Boron Thiophene Polymer through Pore Size Engineering
Preeti Bhauriyal, Thomas Heine
Taking into account the electron-rich and visible light response of thiophene, first-principles calculations have been carried out to explore the photocatalytic activity of donor-a…
Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation
Tom Barnowsky, Stefano Curtarolo, Arkady V. Krasheninnikov +2
Controlling the magnetic state of two-dimensional (2D) materials is crucial for spintronic applications. By employing data-mining and autonomous density functional theory calculati…