Group Members
"Alone we can do so little; together we can do so much." – Helen Keller
"The strength of the team is each individual member. The strength of each member is the team." – Phil Jackson
Dr. Nelson Y. Dzade
Group Leader
Assistant Professor of Energy and Mineral Engineering
John and Willie Leone Family Department of Energy and Mineral Engineering
Affiliate: EMS Energy Institute (EI)
Affiliate: Materials Research Institute (MRI)
Affiliate: Institutes of Energy and the Environment (IEE)
Affiliate: Institute for Computational and Data Sciences (ICDS)
Affiliate: Alliance for Education, Science, Engineering and Design with Africa (AESEDA)
Address: 212 Hosler Building, University Park, State College, PA 16802, U.S.A
Contact: Tel: (+1) 814-8674227| Email: nxd5313@psu.edu| Zoom ID: 6685165934
“A mentor is someone who sees more talent and ability within you, than you see in yourself, and helps bring it out of you.” — Bob Proctor.
Graduate Research Students
Ricardo Amaral
PhD Student (E-: rna5137@psu.edu)
Ricardo received his MSc. in Materials and Chemical Processes Engineering from Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio); BSc. in Nanotechnology - Materials Emphasis from Federal University of Rio de Janeiro (UFRJ). His PhD research at Penn State University involves the development and application of advanced theoretical methods based on DFT calculations to accelerate the rational design of high-performance heterostructures anode materials for lithium-sulfur batteries
Adeline Weitknecht
Integrated Undergraduate-Graduate Student
(E-: amw7123@psu.edu)
Adeline Weitknecht is an Energy Engineering Integrated Undergraduate-Graduate (IUG) student. The IUG program combines both baccalaureate and master’s degrees into one five-year program. Adeline's research involves the design of solar energy systems, equitable electricity access, and the impacts of microgrids on boosting access to electricity for rural communities - with a case study of Kenya, where she will be embarking on a research visit this summer to work with our collaborators at Strathmore University.
Henry I. Eya
PhD Student (E-: hie5027@psu.edu)
Henry received his BSc. in Metallurgical and Materials Engineering (BEng) from the University of Nigeria, Nsukka, Nigeria, and MSc in Materials Science and Engineering from the African University of Science and Technology, Abuja, Nigeria. His PhD research at Penn State University is focused on interface engineering for the development of efficient environmentally stable and lead-free chalcogenide perovskite thin-film solar cells.
Oluwayomi F. Awe
PhD Student (E-:ofa5120@psu.edu)
Oluwayomi received her MSc in Analytical Chemistry from the University of Ibadan, Ibadan, Nigeria; and Bachelor of Technology from the Federal University of Technology, Akure, Nigeria. Her PhD research involves the use of first-principles DFT methods to provide detailed atomic-level characterization that gives a local, electronic, and chemical picture of interface structures, that allows for insight-driven device optimization of heterojunction photocatalysts for hydrogen generation and CO2 conversions to useful chemicals and fuels.
Nikhil Komalla
PhD Student (E-: nxk5431@psu.edu)
Nikhil received his Bachelor of Technology degree in Chemical Engineering from Osmania University, India. He has co-authored a book titled ‘How to Learn Chemical Engineering in 100 Solved problems? & Be Industry Ready’ (ISBN: 978-93-5416-205-3). His PhD research at Penn State University is focused on the computer-aided rational design of transition metal chalcogenides electrocatalysts for green hydrogen production.
Undergraduate Research Students
Al Azri, Sami Adnan Rashid
Summer Research Interns (2022) -E-: sma6501@psu.edu
Sami is a B.S. Energy Engineering major in the John and Willie Leone Family Department of Energy and Mineral Engineering (EME) at Penn State. He is interested in Renewable Energy, Photovoltaics, and Energy Consumption Behavior. During this year's summer research internship, Sami is gaining skills in materials modeling and simulation, which he is applying to characterize the bulk and surface properties of CaSnS3, a promising chalcogenide perovskite for PV applications.
Ramakrishna Santrupth
Summer Research Interns (2023) -E-: sgv5047@psu.edu
Ramakrishna Santrupth is a B.S. Energy Engineering major in the John and Willie Leone Family Department of Energy and Mineral Engineering (EME) at. He is interested in Renewable Energy, Solar cells, and Circular economy. Ramakrishna joined the MMT Group this summer (2023) as a research intern, where he will be working on the project "Computer-aided Design of BaHfS3 Chalcogenide Perovskite for Photovoltaic and Optoelectronic Applications. He will apply first-principles DFT methods to unravel the bulk, surface, and interface properties of BaHfS3.
Renninger, Gabriel Karl
Summer Research Interns (2023) -E-: gkr5168@psu.edu
Gabriel K. Renninger is a B.S. Energy Engineering major in the John and Willie Leone Family Department of Energy and Mineral Engineering (EME) at. Gabe is interested in Earth-abundant materials for efficient solar energy conversion. As a Summer Research Intern (2023), He would be working on first-principles investigation of the structural, electronic, optical, surface, and interface properties of BaHfSe3, and Earth-abundant and stable chalcogenide perovskite for solar cell applications.
Group Alumni
Dr. Sachin R. Rondiya
Was a Postdoctoral Researcher in the Group at Cardiff University (2019-2021).
Now an Assistant Professor at the Department of Materials Engineering
Indian Institute of Science (IISc)
Email: rondiya@iisc.ac.in
Dr. Patrick Heasman
Was a Postdoctoral Researcher in the Group at Cardiff University (2019-2020).
Now a Postdoctoral Research Associate at Linköping University.
Eloise Lewis
MChem. Project Student (2019/2020)
Now pursuing a PGCE in Secondary Science with Chemistry
"First-principle mechanistic insight into the adsorption of arsenic on iron-cobalt oxide (Fe2CoO4)"
Sophie Colton
MChem project student (2019/2020 at Cardiff University
“Computational Design of Sulfide Perovskites for Solar Energy Conversion Applications"
Jasper Huijsmans
BSc Project Student (2018) at Utrecht University
“Computational study of the influence of inorganic solution components on lithium carbonate crystal growth”
Jemima Moorcroft
BSc Project Student (2018/2019) at Cardiff University
Project: "CO2 adsorption and activation on bimetallic Fe-Ni catalysts: A dispersion-corrected DFT analysis"
Main Supervisor: Connor Duggan Project student (2019/2020), Cardiff University. Project: “Optoelectronic and XPS valence band spectra of BaZrS3: insights from density functional theory calculations”
Main Supervisor: Lewis Old Project student (2020/2021), Cardiff University. Project: “Mechanical and optoelectronic properties of CaZrSe chalcogenide perovskite calculated from first principles theory”
Co-supervisor: Elliot S. Menkah, PhD thesis 2019, Kwame Nkrumah University of Science and Technology, Ghana, worked on “Computational design of bimetallic Ni-Ru catalysts for the conversion of syngas to synthetic fuels”. Now a Research Scientist and HPC Specialist at KNUST
Main Supervisor: Timoteüs F. J. Bögels, MSc research 2019, Utrecht University, worked on “Analyzing hydrogen evolution reaction catalytic sites of nickel sulfides, a first-principle DFT study”
Co-supervisor: Albert Aniagyei, PhD thesis 2018, Kwame Nkrumah University of Science and Technology, Ghana, worked on “Theoretical studies of oxygen (O2) reduction on calcium-, strontium- and barium-doped lanthanum manganite (LaMnO3) as cathode materials in solid oxide fuel cells.” Now a Lecturer at The University of Health and Allied Sciences, Ho, Ghana.
Co-supervisor: Caroline R. Kwawu, PhD thesis 2017, Kwame Nkrumah University of Science and Technology, Ghana, worked on “Computational study of the conversion of CO2 to fuel or chemicals on pure and Ni-coated iron surfaces”, now a Lecturer at KNUST
Main supervisor: Manon Dierkx, BSc project 2017, Utrecht University, worked on “Computer simulation of the effects of pH on phosphate adsorption to iron-oxides”
Co-supervisor: Isaac W. Boateng, MPhil thesis 2016, Kwame Nkrumah University of Science and Technology, Ghana, worked on “Computational study of hydrogen adsorption on the (010) surface of Lanthanum ferrite (LaFeO3)”
Co-supervisor: Joel Baffour Awuah, MPhil thesis 2015, Kwame Nkrumah University of Science and Technology, Ghana, “Computational study arsenic immobilization by the Al(III)-modified zeolite clinoptilolite”
Visiting Students & Researchers
Cecil Botchway (PhD candidate): Kwame Nkrumah University of Science and Technology, visited Cardiff University in 2018/2019
Mary Mensah: Kwame Nkrumah University of Science and Technology, visited Cardiff University in 2018/2019
Maipelo Nyepetsi (PhD candidate): Botswana International University of Science and Technology (BIUST), visited Cardiff University in 2019