Flexible and Free-Standing MXene/Redox-Active Dye Molecules on Nanofibers for High-Performance Symmetric Supercapacitors

Yasin Shabangoli, Ali Esfandiar, Mostafa Torkashvand, Negar Ashari Astani

Computational design of dopant-free hole transporting materials: achieving an optimal balance between water stability and charge transport

Ali Keshavarz Mohammadian, Negar Ashari Astani, Farzaneh Shayeganfar

Electrochromic sensor augmented with machine learning for enzyme-free analysis of antioxidants

Saba Ranjbar, Amir Hesam Salavati, Negar Ashari Astani, Naimeh Naseri, Navid Davar, Mohammad Reza Ejtehadi

Electrochemical and computational studies of bio-mimicked Ti3C2Tx MXene-based sensor with multivalent interface

Saba Ranjbar, Negar Ashari Astani, Maryam Atabay, Naimeh Naseri, Ali Esfandiar, Mohammad Reza Ejtehadi

A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr3

Ariadni Boziki, Pablo Baudin, Elisa Liberatore, Negar Ashari Astani, Ursula Rothlisberger

Molecular Machinery Responsible for Graphene Oxide’s Distinct Inhibitory Effects toward Pseudomonas aeruginosa and Staphylococcus aureus Pathogens

Negar Ashari Astani, Fahimeh Najafi, Ali Maghsoumi, Kinza Huma, Leila Azimi, Abdollah Karimi, Mohammad Reza Ejtehadi, James C Gumbart, Naimeh Naseri

Ruddlesden–Popper Phases of Methylammonium-Based Two-Dimensional Perovskites with 5-Ammonium Valeric Acid AVA2MAn–1PbnI3n+1 with n = 1, 2 …

Negar Ashari-Astani, Farzaneh Jahanbakhshi, Marko Mladenović, Anwar QM Alanazi, Iman Ahmadabadi, Mohammad Reza Ejtehadi, M Ibrahim Dar, Michael Grätzel, Ursula Rothlisberger

Effect of graphene oxide nanosheets on visible light-assisted antibacterial activity of vertically-aligned copper oxide nanowire arrays

Fatemeh Kiani, Negar Ashari Astani, Reza Rahighi, Ahmad Tayyebi, Meysam Tayebi, Jafar Khezri, Ehsan Hashemi, Ursula Rothlisberger, Abdolreza Simchi

Computational Characterization of the Dependence of Halide Perovskite Effective Masses on Chemical Composition and Structure

Negar Ashari Astani, Simone Meloni, Amir Hesam Salavati, Giulia Palermo, Michael Grätzel, Ursula Rothlisberger

Extended Intermolecular Interactions Governing Photocurrent–Voltage Relations in Ternary Organic Solar Cells

Wolfgang Tress, Beatrice Beyer, Negar Ashari Astani, Feng Gao, Simone Meloni, Ursula Rothlisberger

Synthesis, characterization and ab initio investigation of a panchromatic ullazine–porphyrin photosensitizer for dye-sensitized solar cells

Simon Mathew, Negar Ashari Astani, Basile FE Curchod, Jared H Delcamp, Magdalena Marszalek, Julien Frey, Ursula Rothlisberger, Mohammad Khaja Nazeeruddin, Michael Grätzel

Valence and conduction band tuning in halide perovskites for solar cell applications

Simone Meloni, Giulia Palermo, Negar Ashari-Astani, Michael Grätzel, Ursula Rothlisberger

Entropic stabilization of mixed A-cation ABX 3 metal halide perovskites for high performance perovskite solar cells

Chenyi Yi, Jingshan Luo, Simone Meloni, Ariadni Boziki, Negar Ashari-Astani, Carole Grätzel, Shaik M Zakeeruddin, Ursula Röthlisberger, Michael Grätzel

In Situ Mapping of the Molecular Arrangement of Amphiphilic Dye Molecules at the TiO2 Surface of Dye-Sensitized Solar Cells

Kislon Voïtchovsky, Negar Ashari-Astani, Ivano Tavernelli, Nicolas Tetreault, Ursula Rothlisberger, Francesco Stellacci, Michael Grätzel, Hauke A Harms

Computational studies for the characterization and design of dye sensitized solar cells (DSSCs) with improved efficiencies

Negar Ashari Astani

Valence and conduction bands engineering in halide perovskites for solar cell applica-tions

Simone Meloni, Giulia Palermo, Negar Ashari Astani, Basile FE Curchod, Michael Graetzel, Ursula Roethlisberger

Lessons from Nature: computational design of biomimetic compounds and processes

Esra Bozkurt, Negar Ashari, Nicholas Browning, Elizabeth Brunk, Pablo Campomanesa, Marta AS Perez, Ursula Rothlisberger

Structural, Electronic and Optical Properties of CsPbX3-xYx Perovskites by ab Initio Simulations

Negar Ashari Astani, Giulia Palermo, Ursula Roethlisberger, Simone Meloni

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers

Simon Mathew, Aswani Yella, Peng Gao, Robin Humphry-Baker, Basile FE Curchod, Negar Ashari-Astani, Ivano Tavernelli, Ursula Rothlisberger, Md Khaja Nazeeruddin, Michael Grätzel

Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye‐Sensitized Solar Cells

Lauren E Polander, Aswani Yella, Basile FE Curchod, Negar Ashari Astani, Joël Teuscher, Rosario Scopelliti, Peng Gao, Simon Mathew, Jacques‐E Moser, Ivano Tavernelli, Ursula Rothlisberger, Michael Grätzel, Md Khaja Nazeeruddin, Julien Frey

Unravelling the potential for dithienopyrrole sensitizers in dye-sensitized solar cells

Lauren E Polander, Aswani Yella, Joël Teuscher, Robin Humphry-Baker, Basile FE Curchod, Negar Ashari Astani, Peng Gao, Jacques-E Moser, Ivano Tavernelli, Ursula Rothlisberger, Michael Grätzel, Md Khaja Nazeeruddin, Julien Frey

Molecular engineering of a fluorene donor for dye-sensitized solar cells

Aswani Yella, Robin Humphry-Baker, Basile FE Curchod, Negar Ashari Astani, Joël Teuscher, Lauren E Polander, Simon Mathew, Jacques-E Moser, Ivano Tavernelli, Ursula Rothlisberger, Michael Grätzel, Md Khaja Nazeeruddin, Julien Frey

Pushing the frontiers of first-principles based computer simulations of chemical and biological systems

Elizabeth Brunk, Ivano Tavernelli, Stefano Vanni, Thomas J Penfold, Giulia Palermo, Marilisa Neri, Marco Micciarelli, Andrey Laktionov, Julian Garrec, Manuel Doemer, Polydefkis Diamantis, Basile FE Curchod, F Franco de Carvalho, Pablo Campomanes, Prashanth Athri, Negar Ashari, Ursula U Rothlisberger