2 PhD student positions – CRC 1625 “Atomic-scale understanding and design of multifunctional compositionally complex solid solution surfaces” – A01

Organisation/Company

Ruhr-University Bochum

Department

Institute for Materials

Research Field

Engineering » Materials engineering

Researcher Profile

First Stage Researcher (R1)

Country

Germany

Application Deadline

19 Feb 2024 – 08:00 (Europe/Berlin)

Type of Contract

Temporary

Job Status

Full-time

Hours Per Week

39,83

Offer Starting Date

1 Apr 2024

Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme

Reference Number

ANR 2849

Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

As part of the new Collaborative Research Center CRC 1625 “Atomic-scale understanding and design of multifunctional compositionally complex solid solution surfaces ” (https://www.mdi.ruhr-uni-bochum.de/forschung/crc1625.html.de ), two PhD positions (m/f/d) are available for the subproject A01 “Theoretical electrochemistry of CCSS surfaces and high-throughput exploration of CCSS thin film systems” starting 01.04.2024. Project duration: 3,75 years.

Compositionally complex solid solutions (CCSS), which contain five different elements in a single-phase crystal structure, have unique electrocatalytic properties that are crucial for future sustainable energy systems such as electrolyzers. The extraordinary, surface-dominated properties are a consequence of the large number of different polyelemental active centers on the surface. The design of these surface atom arrangements (SAA) has the potential to overcome the limitations of conventional catalysts and pave the way for sustainable materials with outstanding activity and stability. The CRC aims to understand and control SAA: their formation, their variation for different systems and compositions, changes in SAA due to experimental conditions and, most importantly, the systematic tailoring and manipulation of SAA to shape their properties.
A01 is a joint project combining theoretical electrochemistry of CCSS (Prof. Rossmeisl, Copenhagen) with their experimental exploration and exploitation using data-guided high-throughput synthesis and characterisation (Prof. Ludwig, Bochum). The aim is to identify CCSS with electrocatalytic properties based on understanding of their surface atom arrangements (SAA), to be achieved by tightly linked simulations and experiments. The iteratively obtained understanding is used to predict and discover new CCSS catalysts. The Rossmeisl part of A01 will develop the theory of catalysis on CCSS surfaces based on tools such as DFT simulations and machine learning at the atomic scale of individual SAA and their properties. The Ludwig part of A01, performs high-throughput synthesis and characterisation of CCSS thin film systems based on the theoretical and simulation work of A01. Materials libraries of noble metals will be explored in wide ranges of the multidimensional search space in order to identify active electrocatalyst which will be further studied in the CRC.
The doctoral researcher for the theoretical subproject (Rossmeisl) will be employed at RUB and supervised by Prof. Rossmeisl. The PhD student will mainly work at RUB but will also have regular research visits to Copenhagen.

Your tasks:

Doctoral researcher 1 (experiments)

• Synthesis of thin-film material libraries using combinatorial sputtering
• High-throughput characterization of material libraries (EDX, XRD, XPS, LEIS,…)
• Interdisciplinary collaboration within the CRC
• Publication of results

Doctoral researcher 2 (theory)     

• Setting up simulations (DFT, Machine learning, Monte Carlo)
• Analysis of results and construction of models for understanding the chemistry
• Interdisciplinary collaboration within the CRC
• Publication of results

Requirements

Research Field

Engineering » Materials engineering

Education Level

Master Degree or equivalent

Research Field

Computer science » Modelling tools

Education Level

Master Degree or equivalent

Skills/Qualifications

We are looking for highly motivated scientists with very good knowledge in the field of materials science (thin films and material characterization desirable), interest in electrochemical materials and material informatics, who dare to approach new, exciting and promising topics in an interdisciplinary environment and who have the ambition to efficiently generate, publish and apply new scientific findings with the extraordinary experimental possibilities available and the cooperation in the CRC.

Specific Requirements

Doctoral researcher 1 (experiments)

• Completed studies with a focus on materials science, with very good results, in the field of materials science, mechanical engineering (specializing in materials) or physics, chemistry
• Practical experience in the production of thin films, preferably sputtering
• Practical experience in the field of characterization of thin films, e.g. SEM, EDX, XRD, SPM
• Fluent in written and spoken English
• Interest in publications

Doctoral researcher 2 (theory)

• Completed studies with a focus on materials science, with very good results, in the field of materials science or physics, chemistry
• Experience with Density functional theory, force field, machine learning potentials or similar simulation methods.
• Experience with simulations related to catalysis or electrocatalysis or related areas.
• Experience with programming.
• Fluent in written and spoken English
• Interest in publications

Languages

ENGLISH

Level

Excellent

Additional Information
Benefits

• Challenging and varying tasks with a high level of personal responsibility
• Support from and cooperation with competent colleagues
• Team-oriented collaboration in a committed, international and appreciative team
• A friendly and collegial environment
• A modern, well-equipped workplace

Selection process

Please send your complete and informative application documents (informative cover letter, 1-page letter of motivation, CV with certificates, own publications if applicable) as one pdf document by e-mail to: Dr. S. Thienhaus, [email protected]  Please indicate which of the two doctoral positions you are interested in.

Additional comments

Ruhr-Universität Bochum (RUB) is one of the leading research universities in Germany. As a reform-oriented campus university, it uniquely combines the entire range of major scientific disciplines in one place. The dynamic coexistence of subjects and subject cultures offers researchers and students alike special opportunities for interdisciplinary cooperation.

RUB stands for diversity and equal opportunities. We therefore promote cooperation between heterogeneous teams and the career paths of people who are underrepresented in the respective fields of work. RUB expressly encourages applications from women. In areas where they are underrepresented, they will be given preferential consideration if they have the same qualifications. Applications from people with disabilities are also very welcome.

Website for additional job details

https://www.mdi.ruhr-uni-bochum.de/forschung/crc1625.html.de

Work Location(s)

Number of offers available

2

Company/Institute

Ruhr-University Bochum

Country

Germany

State/Province

NRW

City

Bochum

Postal Code

44801

Street

Universitätsstr. 150

Geofield

Where to apply

E-mail

[email protected]

Contact

State/Province

NRW

City

Bochum

Website

http://www.ruhr-uni-bochum.de/wdm/index.html

Street

Universitätsstr. 150

Postal Code

44801

E-Mail

[email protected]

STATUS: EXPIRED