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We demonstrate dark-field x-ray microtomography in a compact, laboratory-based system capable of resolving attenuation, phase, and anisotropic scattering signals with micrometer-scale resolution across centimetre-scale samples. The method…

We report scanning tunneling microscopy studies of individual adatoms deposited on an InSb(110) surface. The adatoms can be reproducibly dropped off from the STM tip by voltage pulses, and impact tunneling into the surface by up to ~100x.…

A systematic experimental and theoretical study about substrate induced molecular conformation in rubrene thin films by varying film thickness from sub-monolayer to multilayer, which currently attracts substantial attention with regard to…

Mesoscale and Nanoscale Physics · Physics 2016-11-28 Sumona Sinha , Chia-Hsin Wang , Manbendra Mukherjee , Tapas Mukherjee

Polycrystalline boron-doped diamond (BDD) is widely used as a working electrode material in electrochemistry, and its properties, such as its stability, make it an appealing support material for nanostructures for electrocatalytic…

Materials Science · Physics 2023-06-13 Shayantan Chaudhuri , Andrew J. Logsdail , Reinhard J. Maurer

We report on results from an experiment at the European XFEL where we measured the x-ray Thomson scattering (XRTS) spectrum of single crystal silicon with ultrahigh resolution. Compared to similar previous experiments, we consider a more…

Results of recent density functional theory calculations for alkali metal adsorbates on close-packed metal surfaces are discussed. Single adatoms on the (111) surface of Al and Cu are studied with the self-consistent surface Green-function…

mtrl-th · Physics 2016-09-07 C. Stampfl , M. Scheffler

The adsorption of 1,4-benzenediamine (BDA) on the Au(111) surface and azobenzene on the Ag(111) surface is investigated using density functional theory (DFT) with a non-local density functional (vdW-DF) and a semi-local…

Materials Science · Physics 2014-01-07 Guo Li , Isaac Tamblyn , Valentino R. Cooper , Hong-Jun Gao , Jeffrey B. Neaton

We propose a new structural model for the Si(111)-(5x2)-Au reconstruction. The model incorporates a new experimental value of 0.6 monolayer for the coverage of gold atoms, equivalent to six gold atoms per 5x2 cell. Five main theoretical…

Materials Science · Physics 2015-05-14 Steven C. Erwin , Ingo Barke , F. J. Himpsel

We show that an individual adatom on a magnetic surface can exhibit a noncollinear spin density. Using density functional theory we study Co and Ir adatoms on a Mn monolayer on the W(110) surface which possesses a noncollinear canted spin…

Materials Science · Physics 2018-12-12 Soumyajyoti Haldar , Stefan Heinze

We studied dynamics of Au (001) surface in situ in 0.1 M HClO4 electrolyte solution using both coherent x-ray scattering and scanning tunneling microscopy (STM). The surface of Au (001) is known to reconstruct at cathodic potentials; the…

Materials Science · Physics 2011-10-18 M. S. Pierce , V. Komanicky , A. Barbour , D. C. Hennessy , J. -D. Su , A. Sandy , C. Zhu , H. You

Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…

Machine Learning · Computer Science 2025-07-03 Jithendaraa Subramanian , Linda Hung , Daniel Schweigert , Santosh Suram , Weike Ye

NO molecules adsorbed on a Pt(111) surface from dipping in an acidic nitrite solution are studied by near edge X-ray absorption fine structure spectroscopy (NEXAFS), X-ray photoelectron spectroscopy (XPS), low energy electron diffraction…

We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111)…

Strongly Correlated Electrons · Physics 2016-03-22 Hung T. Dang , Manuel dos Santos Dias , Ansgar Liebsch , Samir Lounis

We investigate the adsorption sites of $3d$ transition metal (TM) adatoms by means of low-temperature scanning tunneling microscopy and spectroscopy. Co and Ni adatoms were adsorbed on two types of graphene on SiC(0001), i.e. pristine…

Mesoscale and Nanoscale Physics · Physics 2013-11-21 T. Eelbo , M. Waśniowska , M. Gyamfi , S. Forti , U. Starke , R. Wiesendanger

Reactive dopant atoms embedded in inert host metal surfaces define the active sites in single-atom alloys (SAAs), yet SAA synthesis remains challenging. To address this, we elucidate how dopant adatoms deposited on Cu and Ag surfaces become…

Materials Science · Physics 2025-12-01 Ioannis Karageorgiou , Angelos Michaelides , Fabian Berger

The physical properties of ultrathin NaCl overlayers on the stepped Cu(311) surface have been characterized using scanning tunneling microscopy (STM) and spectroscopy, and density functional calculations. Simulations of STM images and…

Materials Science · Physics 2009-11-10 F. E. Olsson , M. Persson , J. Repp , G. Meyer

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz

The formation of ordered phases of dimethyl-disulfide on the Au(111) surface has been investigated by means of Low-Energy Electron Diffraction (LEED), X-ray Photoemission Spectroscopy (XPS), and state-of-the-art Density Functional Theory…

Condensed Matter · Physics 2007-05-23 V. De Renzi , D. Marchetto , R. Biagi , U. del Pennino , R. Di Felice , A. Selloni

We report the discovery of a metal adatom induced corrugation of Cu(001) as probed by atom beam scattering (ABS). At Pb or Bi coverages of 0.05 (fraction of Cu layer), and while a (1$\times$1) LEED pattern is still observed, the ABS…

Condensed Matter · Physics 2009-10-22 Wei Li , Gianfranco Vidali

We have combined scanning tunneling microscopy with inelastic electron tunneling spectroscopy (IETS) and density functional theory (DFT) to study a tetracyanoethylene monolayer on Ag(100). Images show that the molecules arrange in locally…

Materials Science · Physics 2013-07-01 Daniel Wegner , Ryan Yamachika , Xiaowei Zhang , Yayu Wang , Michael F. Crommie , Nicolás Lorente