Prediction of sodium binding energy on 2D VS 2 via machine learning: a robust accompanying method to ab initio random structure searching.

Autor: Putungan DB; Physics Division, Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, 4031, Philippines., Su S; State Key Lab of Digital Manufacturing Equipment & Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, China. akhilgarg@hust.edu.cn., Gao L; State Key Lab of Digital Manufacturing Equipment & Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, China. akhilgarg@hust.edu.cn., Goyal A; Institute of Physics, University of Amsterdam, Science Park 904, The Netherlands., Lin SH; Department of Materials and Optoelectronic Science, Center of Crystal Research, Research Center for Physical Properties and Microstructure of Metals, National Sun Yat-Sen University, Kaohsiung, Taiwan., Garg A; State Key Lab of Digital Manufacturing Equipment & Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, Wuhan, China. akhilgarg@hust.edu.cn.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2023 May 31; Vol. 25 (21), pp. 15008-15014. Date of Electronic Publication: 2023 May 31.

New insight on the role of localisation in the electronic structure of the Si(111)(7 × 7) surfaces.

Autor: Dávila ME; Materials Science Institute of Madrid (ICMM), Spanish Scientific Research Council (CSIC), 28049, Cantoblanco, Madrid, Spain., Ávila J; Synchrotron SOLEIL, L'Orme des Merisiers, Saint Aubin-BP 48, 91192, Gif sur Yvette Cedex, France., Colambo IR; Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, 4031, Los Baños, Laguna, Philippines., Putungan DB; Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, 4031, Los Baños, Laguna, Philippines., Woodruff DP; Physics Department, University of Warwick, Coventry, CV4 7AL, UK., Asensio MC; Materials Science Institute of Madrid (ICMM), Spanish Scientific Research Council (CSIC), 28049, Cantoblanco, Madrid, Spain. mc.asensio@csic.es.; MATINEE: CSIC Research Associated Unit Between the Institute of Materials Science of the Valencia University (ICMUV) and the ICMM, 28049, Cantoblanco, Madrid, Spain. mc.asensio@csic.es.

Publikováno v: Scientific reports [Sci Rep] 2021 Jul 22; Vol. 11 (1), pp. 15034. Date of Electronic Publication: 2021 Jul 22.

Metallic VS2 Monolayer Polytypes as Potential Sodium-Ion Battery Anode via ab Initio Random Structure Searching.

Autor: Putungan DB; Physics Division, Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, College , Los Baños, 4031, Laguna, Philippines.; Department of Physics, National Taiwan University , Taipei, Taiwan , 10617.; Institute of Atomic and Molecular Sciences, Academia Sinica , Taipei, Taiwan , 11529., Lin SH; Institute of Atomic and Molecular Sciences, Academia Sinica , Taipei, Taiwan , 11529.; Department of Materials and Optoelectronic Science, National Sun Yat-Sen University , Kaohsiung, Taiwan , 80424., Kuo JL; Institute of Atomic and Molecular Sciences, Academia Sinica , Taipei, Taiwan , 11529.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2016 Jul 27; Vol. 8 (29), pp. 18754-62. Date of Electronic Publication: 2016 Jul 12.

Li adsorption, hydrogen storage and dissociation using monolayer MoS2: an ab initio random structure searching approach.

Autor: Putungan DB; Department of Physics, National Taiwan University, Taipei, Taiwan., Lin SH, Wei CM, Kuo JL

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2015 May 07; Vol. 17 (17), pp. 11367-74.