Electronic State Unfolding for Plane Waves: Energy Bands, Fermi Surfaces, and Spectral Functions

por Dirnberger, David, Kresse, Georg, Franchini, Cesare, Reticcioli, Michele
Publicado 2021

Adsorption of 4-(N,N-Dimethylamino)-4′-nitrostilbene on an Amorphous Silica Glass Surface

por Vörös, Dóra, Angeletti, Andrea, Franchini, Cesare, Mai, Sebastian, González, Leticia
Publicado 2023

Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites

por Bokdam, Menno, Sander, Tobias, Stroppa, Alessandro, Picozzi, Silvia, Sarma, D. D., Franchini, Cesare, Kresse, Georg
Publicado 2016

Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide

por He, Jiangang, Di Sante, Domenico, Li, Ronghan, Chen, Xing-Qiu, Rondinelli, James M., Franchini, Cesare
Publicado 2018

Role of Polarons in Single-Atom Catalysts: Case Study of Me(1) [Au(1), Pt(1,) and Rh(1)] on TiO(2)(110)

por Sombut, Panukorn, Puntscher, Lena, Atzmueller, Marlene, Jakub, Zdenek, Reticcioli, Michele, Meier, Matthias, Parkinson, Gareth S., Franchini, Cesare
Publicado 2022

Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations

por Geiger, Philipp, Dellago, Christoph, Macher, Markus, Franchini, Cesare, Kresse, Georg, Bernard, Jürgen, Stern, Josef N., Loerting, Thomas
Publicado 2014

Competing electronic states emerging on polar surfaces

por Reticcioli, Michele, Wang, Zhichang, Schmid, Michael, Wrana, Dominik, Boatner, Lynn A., Diebold, Ulrike, Setvin, Martin, Franchini, Cesare
Publicado 2022

Large enhancement of the photovoltaic effect in ferroelectric complex oxides through bandgap reduction

por An, Hyunji, Han, Jun Young, Kim, Bongjae, Song, Jaesun, Jeong, Sang Yun, Franchini, Cesare, Bark, Chung Wung, Lee, Sanghan
Publicado 2016

Rapid oxygen exchange between hematite and water vapor

por Jakub, Zdenek, Meier, Matthias, Kraushofer, Florian, Balajka, Jan, Pavelec, Jiri, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike, Parkinson, Gareth S.
Publicado 2021

Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects

por Wu, Guangfen, Chen, Hua, Sun, Yan, Li, Xiaoguang, Cui, Ping, Franchini, Cesare, Wang, Jinlan, Chen, Xing-Qiu, Zhang, Zhenyu
Publicado 2013

Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO(3)(110)-(4 × 1)

por Wang, Zhiming, Hao, Xianfeng, Gerhold, Stefan, Novotny, Zbynek, Franchini, Cesare, McDermott, Eamon, Schulte, Karina, Schmid, Michael, Diebold, Ulrike
Publicado 2013

Oxygen-Terminated (1 × 1) Reconstruction of Reduced Magnetite Fe(3)O(4)(111)

por Kraushofer, Florian, Meier, Matthias, Jakub, Zdeněk, Hütner, Johanna, Balajka, Jan, Hulva, Jan, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike, Parkinson, Gareth S.
Publicado 2023

Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO(3)(110) Surface

por Wang, Zhiming, Hao, Xianfeng, Gerhold, Stefan, Mares, Petr, Wagner, Margareta, Bliem, Roland, Schulte, Karina, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike
Publicado 2014

Local Structure and Coordination Define Adsorption in a Model Ir(1)/Fe(3)O(4) Single‐Atom Catalyst

por Jakub, Zdenek, Hulva, Jan, Meier, Matthias, Bliem, Roland, Kraushofer, Florian, Setvin, Martin, Schmid, Michael, Diebold, Ulrike, Franchini, Cesare, Parkinson, Gareth S.
Publicado 2019

Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide

por Riva, Michele, Kubicek, Markus, Hao, Xianfeng, Franceschi, Giada, Gerhold, Stefan, Schmid, Michael, Hutter, Herbert, Fleig, Juergen, Franchini, Cesare, Yildiz, Bilge, Diebold, Ulrike
Publicado 2018

Surface chemistry on a polarizable surface: Coupling of CO with KTaO(3)(001)

por Wang, Zhichang, Reticcioli, Michele, Jakub, Zdenek, Sokolović, Igor, Meier, Matthias, Boatner, Lynn A., Schmid, Michael, Parkinson, Gareth S., Diebold, Ulrike, Franchini, Cesare, Setvin, Martin
Publicado 2022

Doping Evolution of the Local Electronic and Structural Properties of the Double Perovskite Ba(2)Na(1–x)Ca(x)OsO(6)

por Kesavan, Jagadesh Kopula, Fiore Mosca, Dario, Sanna, Samuele, Borgatti, Francesco, Schuck, Götz, Tran, Phuong Minh, Woodward, Patrick M., Mitrović, Vesna F., Franchini, Cesare, Boscherini, Federico
Publicado 2020

Behavior of Methylammonium Dipoles in MAPbX(3) (X = Br and I)

por Govinda, Sharada, Kore, Bhushan P., Bokdam, Menno, Mahale, Pratibha, Kumar, Abhinav, Pal, Somnath, Bhattacharyya, Biswajit, Lahnsteiner, Jonathan, Kresse, Georg, Franchini, Cesare, Pandey, Anshu, Sarma, D. D.
Publicado 2017

A Multitechnique Study of C(2)H(4) Adsorption on Fe(3)O(4)(001)

por Puntscher, Lena, Sombut, Panukorn, Wang, Chunlei, Ulreich, Manuel, Pavelec, Jiri, Rafsanjani-Abbasi, Ali, Meier, Matthias, Lagin, Adam, Setvin, Martin, Diebold, Ulrike, Franchini, Cesare, Schmid, Michael, Parkinson, Gareth S.
Publicado 2023

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory

por Meier, Matthias, Jakub, Zdeněk, Balajka, Jan, Hulva, Jan, Bliem, Roland, Thakur, Pardeep K., Lee, Tien-Lin, Franchini, Cesare, Schmid, Michael, Diebold, Ulrike, Allegretti, Francesco, Duncan, David A., Parkinson, Gareth S.
Publicado 2018