Determining in situ phases of a nanoparticle catalyst via grand canonical Monte Carlo simulations with the ReaxFF potential

Catalysis Communications - Tập 52 - Trang 72-77 - 2014
Thomas P. Senftle1, Adri C.T. van Duin2, Michael J. Janik1
1Department of Chemical Engineering, Pennsylvania State University, University Park, PA 16802, USA
2Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802, USA

Tài liệu tham khảo

Thông tin
Thông tin xuất bản

Catalysis Communications

Tập 52

72-77

Thông tin tác giả