Attachment A - SOW.pdf

August 2025 Statement of Work 1

Statement of Work Title Metal Oxide Infrared Reflection Absorption Spectroscopy (MOIRRAS) Accessory

Sponsor Center for Functional Nanomaterials, Brookhaven National Laboratory PIMS not applicable

Lead PI & contact info

Duration of Performance

SOW Version

Ashley Head ahead@bnl.gov 2 years

Version 1

Project Objective

The Center for Functional Nanomaterials (CFN) will partner with a university with expertise in building an accessory for infrared reflection absorption spectroscopy specifically for metal oxide single crystals (MOIRRAS accessory). The accessory will couple to an existing IR spectrometer at the CFN and an ultra-high vacuum chamber that will be built. The accessory will enable studies of sub-monolayer coverages of molecules on metal oxide single crystals, including determining their adsorption geometry.The specific project objectives are:

1) Design and build the MOIRRAS accessory.

2) A UHV chamber will be designed in collaboration with the CFN. The accessory will be integrated with an existing IR spectrometer and the UHV chamber.

3) The system will be tested with CO adsorption on rutile TiO2.

4) Preliminary studies with adsorbates on Cu2O single crystals will be performed.

5) A publication describing the instrument will be submitted.

Project Scope This SOW covers the following activities.

The contract targets funding personnel to design and build a MOIRRAS accessory. The CFN has an existing IR spectrometer for the accessory, but a UHV chamber needs to be designed. The contractor will collaborate with the CFN to ensure the chamber design is compatible with the MOIRRAS accessory. The CFN will work with the contractor to install the accessory at the BNL, perform validation tests, and begin preliminary science studies on Cu2O. Delivering the project scope will bring a new capability to the CFN user community that complements current spectroscopy techniques. Additionally, the collaboration between the CFN and contractor will begin a Cu2O study that highlights the new capability to the user and science community.

Requirements:

1. Design the MOIRRAS Accessory

The contractor will design an IRRAS accessory that polarizes the IR light and selects a range of incident angles. After reflecting on the sample, the light will be collected and focused onto a detector. The accessory will be under the rough vacuum of the spectrometer and interface with the UHV conditions of

DRAFT

August 2025 Statement of Work 2 the sample chamber via feedthroughs and optical ports. The design will accommodate a mercury cadmium telluride (MCT) detector with an 8 hour liquid nitrogen hold time. The design will be approved by the CFN before components are built or ordered.

2. Build the MOIRRAS Accessory

After design approval, the contractor will order components and assemble the accessory. Tests will occur to the extent possible at the home institution. The CFN will cover the costs of shipping the accessory.

3. Confirm the design of the UHV chamber

The CFN will provide a preliminary design of the UHV chamber based on the specifications of the accessory. The contractor will determine that the design will enable proper function of the accessory and approve the UHV chamber design. Once the chamber design is finalized and approved by the CFN and the contractor, the CFN will order the chamber.

4. Installation of the MOIRRAS at the CFN

At least one person will travel to the CFN for installation of the accessory and training of two CFN staff.

5. CO absorption on rutile TiO2 study

To determine the performance of the accessory, the adsorption of CO on a clean rutile TiO2 single crystal at ~100 K will be tested.

6. Studies of absorbates on Cu2O

The CFN and the contractor will collaborate on studying the adsorption of small molecules on Cu2O (111) and (100) single crystals.

7. Regular communication with CFN scientists will occur to review progress and plan effectively.

8. Dissemination of research findings, such as presenting at conferences or publishing articles in peer-reviewed journals is expected.

The contractor PI and the CFN PI will be co-corresponding authors on articles resulting from the collaboration. The contracting institution will be acknowledged in research articles and conference presentations.

August 2025 Statement of Work 3

Deliverables

Deliverable Description Due Date (in # of days or weeks after contract award) Do not put a specific date in here.

Experimental plan A detailed experimental plan will be developed to track progress of the accessory design, build, installation, and execution of subsequent experiments.

4 weeks after award of contract

MOIRRAS accessory design sent to BNL for approval

The design of the accessory will be approved by the CFN and the contractor.

8 weeks ARO

UHV Chamber design approval

The CFN will provide a UHV chamber drawing. The contractor will confirm that the design accommodates the MOIRRAS accessory.

12 weeks ARO

All components ordered The contractor will confirm that all components of the MOIRRAS accessory have been ordered.

16 weeks ARO assembly report

The contractor will assemble the MOIRRAS accessory and do relevant testing to the extent possible with equipment at the home institution. A report of the findings will be submitted to the CFN.

40 weeks ARO delivery

The accessory will be delivered to BNL. 64 weeks ARO

Installation The MOIRRAS accessory will be installed at BNL.

72 weeks ARO

Commissioning CO adsorbed onto TiO2 will be used as a first system to test the performance.

80 weeks ARO

Initial Cu2O Studies The adsorption and reaction of small molecules on Cu2O single crystalline surfaces will be initiated in collaboration with contractor.

90 weeks ARO

August 2025 Statement of Work 4

Progress Report A progress report will be provided every month either via email or video conference. The report will detail progress, next steps, and any issues or corrective actions.

Every month

Publication draft The contractor PI and the BNL PI will collaborate on publications, with the first publication to focus on a description of the instrument.

100 weeks ARO after award of contract

August 2025 Statement of Work 5

Schedule

Task or Milestone Milestone? Month of occurence

Experimental plan no 1

MOIRRAS design sent to BNL No 2 UHV Chamber design approval No 3 Order all components No 4 Assemble the MOIRRAS accessory No 10 Delivery No 16 Installation No 18 Publication drafted no 24

Assumptions This Statement of Work is based on the following assumptions.

Brookhaven Science Associates will provide the following at the CFN:

• Bruker 80v Infrared Spectrometer with an MCT detector 8 hour liquid nitrogen hold time

• UHV chamber initial design

• CFN will purchase the UHV chamber and all required components, such as sputtering, sample holder, pumps, viewport, lighting, camera, and flanges

• The CFN will design and build a frame for the spectrometer, MOIRRAS accessory, and UHV chamber

• All metal oxide samples

These items will be furished at the CFN for installation.

The CFN will have the spectrometer serviced, including alignment, 6 months prior to installation.

Reporting

A monthly email detailing progress, schedule, and any issues will be submitted to the CFN. A videoconference may occur in place of the email if both PI deems necessary.

Ashley Head Technical Representative Center for Functional Nanomaterials