4 citations · 4 across the 2 of their papers we have counts for
6 papers · 1 filter
First-principles study of defects at grain boundaries in CuGaSe
R. Saniz, J. bekaert, B. Partoens +1
We present a first-principles computational study of cation-Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect…
Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods
Kamal Choudhary, Marnik Bercx, Jie Jiang +3
Solar-energy plays an important role in solving serious environmental problems and meeting high-energy demand. However, the lack of suitable materials hinders further progress of t…
First-principles study of CO and OH adsorption on In-doped ZnO surfaces
R. Saniz, N. Sarmadian, B. Partoens +6
We present a first-principles computational study of non-polar ZnO (100) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position o…
Exceeding the Shockley-Queisser limit within the detailed balance framework
Marnik Bercx, Rolando Saniz, Bart Partoens +1
The Shockley-Queisser limit is one of the most fundamental results in the field of photovoltaics. Based on the principle of detailed balance, it defines an upper limit for a single…
Extended homologous series of Sn-O layered systems: a first-principles study
Kirsten Govaerts, Bart Partoens, Dirk Lamoen
Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous ser…
Easily doped p-type, low hole effective mass, transparent oxides
Nasrin Sarmadian, Rolando Saniz, Bart Partoens +1
Fulfillment of the promise of transparent electronics has been hindered until now largely by the lack of semiconductors that can be doped p-type in a stable way, and that at the sa…