Overview of the 2DCC-MIP for Potential Users

Webinar 6/28/16

NSF cooperative agreement DMR-1539916

What’s a MIP? – Materials Innovation Platform• Created in response to NAS, NSF MPSAC and MGI Reports• MIPS are national facilities similar to National High Magnetic Field Lab

(NHMFL), Cornell High Energy Synchroton Source (CHESS), etc.

“NSF should create a network ofMaterials Innovation Platforms” -geographic and materials diversity;tightly closed-loop research amongsynthesis, characterization, theory,modeling; targeted materialsoutcomes; vibrant external userprogram.”

“Despite the promises offered, thediscovery and growth of crystallinematerials in the United States issubstantially weaker than it was 20years ago….Need for “centers ofexcellence” in crystal growth.”

“discover, manufacture, and deployadvanced materials in half the timeand at a fraction of the cost”. NSFresponded with the DMREF programwhich supports tightly closed-loopresearch among synthesis,characterization, and theory/modeling.

NAS Report NSF MPSAC MGIt

Features of a MIP

Focused research on synthesis of inorganic materials Targets an area of national importance.

Materials genome approach Team of researchers in the areas of synthesis, characterization,

theory/modeling in a closed-loop and iterative collaboration.

User facility Provides open access to tools, expertise, data, and new materials

(goal >50% time allocation to external users and >10% to non-R1 institutions).

Education and outreach Advances the mission of the platform.

2D monolayers, surfaces and interfaces are emerging as a compelling class of systems with transformative new sciencethat can be harnessed for novel device technologies.

2D Materials for Next Generation Electronics

TIs & TMDs: steep slope transistors

(< 60 mV/decade) Topological spintronics: efficient spin transfer torque for

low power MRAM (fJ/switch)

Nature (2014)(Ralph & Samarth)

Nature Comm. (2015)(Robinson)

Hybrid 2D devices

cf. Fiori et al., Nature Nano. (2014)

The Layered Chalcogenide Families

2D chalcogenides offer a wide range of electronic and optical properties for devices.

Overview of 2DCC Platform

Develop custom deposition tools with in situ and real time characterization of monolayer and few layer films.

Unique capabilities in simulation of reaction kinetics through first principles + reactive potential approach

User Facilities - Experimental Multi-Module UHV Growth and Characterization System Hybrid MBE system for TMDs Chalcogenide MOCVD Chalcogenide MOCVD System with In-Situ Optical Characterization Bridgman Furnace Chemical Vapor Transport Systems

Multi-Module UHV system with MBE, cryogenic ARPES and Nanoprobe 4 point STM

MOCVD with in situ ellipsometry and mass spectrometry (also planning Raman and photoluminescence)

User Facilities – Theory/ComputationComputational thermodynamics is an important and well-established first step, but a deep understanding of reaction kinetics is essential to success in 2D synthesis.

Unique capabilities in reaction kinetics through ReaxFF, coupled to well-established expertise in first-principles methods, while accelerated MD and phase-field methods handle long length- and time-scales.

In situ data interpreted through calculations of electronic/vibrational response, plus model Hamiltonian treatments of novel electronic phenomena, constrained by first-principles results.

Raman response

ARPES spectra

direct reaction simulation

Reaction coordinate–2 eV

0 eV

2 eV accurate reaction barriers

accelerated MD

User Facilities – Organization and Location

Materials Research Institute

NanofabricationFacility

Materials Characterization

Lab

Materials Computation

Center

Materials Innovation Platform

MBE LabMBE System 1

CVD LabMOCVD System 1MOCVD System 2

Bulk Growth LabBridgman SystemCVT Furnaces

Nanofab 2DCC-MIP

Millennium Science Complex – First Floor

MBE System 2 located in basement of Davey Lab

Kevin DresslerOperations & Facilities Director

Nitin Samarth Phys

Assoc. DirectorCharacterization Lead

Vin Crespi Phys/MatSETheory Lead

Joshua RobinsonMatSE

Director of User Programs

Eric Hudson Phys

Education, Outreach and Diversity

2DCC-MIP Leadership and AdministrationExecutive Leadership Team

Administration

Joan RedwingMatSE/EE

DirectorSynthesis Lead

Rosemary BittelAdministrative Support

Coordinator

Organization ChartAnupama KaulUT-El Paso

Greg BoebingerNHMFL

Keith EvansKyma

Stefano CurtaroloDuke

Chris PalmstromUCSB

The 2DCC-MIP User Program

Benefits of using the 2DCC Join community of researchers focused on 2D materials and devices.

Join user committee, participate in annual user meeting and take advantage of webinars and tutorials on a wide range of 2D topics.

Gain access to facilities, equipment and 2D expertise: 2D layer and heterostructure growth by MBE and MOCVD In-situ characterization via ARPES, STM, optical spectroscopy, etc. Bulk crystal growth of chalcogenides, exfoliation and layer transfer Processing knowledge and sample handling advice Wide range of theory and simulation tools and expertise State-of-the-art materials characterization and nanofabrication user facilities

It’s free! (for non-proprietary U.S. academic and government lab research) NSF covers all expenses for equipment use, materials and supplies, staff time Industrial and international users pay fee based on cost-recovery Limited funds for travel and living expenses available for researchers/students

from minority-serving and primarily undergraduate institutions

User Access Modes

Remote

Visiting

Independent

Samples/characterization/data/modeling provided by 2DCC to remote users

Users work jointly with 2DCC experts on-site at Penn State (residence: days to weeks)

Users fully trained by staff to operate equipment (residence: weeks to months)

How do I become a 2DCC user?Proposals are accepted through an online proposal submission portal Get started today at the Become a User tab on the 2DCC website.

The 2DCC accepts two types of proposals which align with the 2DCC scope and capabilities (which evolve over time):Research Projects Proposals can describe synthetic, characterization and/or theory efforts

that are performed by 2DCC staff and/or users who come to the facility. Typical project duration is 1 to 2 years. Proposals consist of 3 page (max) project description plus NSF-style bio. Proposals are reviewed by external experts.Request for Standard Samples Request for samples that are routinely fabricated by the 2DCC. Current

List provided on the 2DCC website. Proposals consist of 1 page (max) description plus NSF-style bio. Requests are reviewed internally.

User Proposal ProcessResearch Proposal

(3 pgs. + bio)

Same process for internal & external users

Resource Allocation • Coordinate resources for project• Identify internal advocate/collaborator

User Support Groups

Carry out project

Sample Requests(1 pg. + bio)

2DCC Website

Review by External Experts • Intellectual merit• Broader impact

2DCC Website

Review by User Support Group

Decision by Leadership Team Prioritize for funding/delivery based on review and project portfolio.

Funded Project Samples Delivered

User Support

Characterization

Synthesis

SimulationTheory

UserInternal Advocate

User Support Groups• Synthesis, theory & characterization • Comprised of 2DCC faculty and experienced

external users• Assist in project coordination and resource

allocation• Provide expertise

Internal Advocate• 2DCC faculty/staff member assigned to champion project

2DCC Technical Support Staff• Ph.D. Level Research Associates • Technician• Postdoctoral Scholars • Graduate Students

• Material-specific empirical force fields• Accelerated first-principles methods• Generation of key phase stability information• Adaptations of continuum models to synthesis conditions• Analysis of potential innovative synthetic protocols

As the experimental capabilities of the 2DCC ramp up, there is opportunity to develop theory tools that support these up-coming experimental investigations.

Personnel support over 6-12 month timescale of a project (PSU only)Access to computational resources (once on-line, in Fall)

Call for Proposals, Theory:Fundamental Enabling Tools

Proposals are short (3 pages) and reviewed on an ongoing basis, with a submission deadline of August 31. Close relation to experimental synthetic efforts is required!

Vin Crespi Theory Lead

vhc2@psu.edu

Questions? Contact:

Available Standard SamplesTransition metal dichalcogenides (partial monolayer to ~20 nm thick films)

MoS2, WSe2 and WS2 grown by PVT or MOCVD c-plane sapphire or oxidized silicon substrates Sample size: 1x1 cm

Topological insulators (3 nm to ~100 nm thick films) Bi2Se3 and (Bi,Sb)2Te3 grown by MBE (111)A InP or SrTiO3 substrates n-type and p-type doping Sample size: 1x1 cm

Graphene Epitaxial graphene (1-3 layers) on (0001) SiC substrate

Sample size: 1x1 cm up to 3” diameter wafer CVD graphene (monolayer) on copper substrate

Sample size: 1x1 cm or 2x2 cm

Characterization data (AFM, Raman, PL, etc.) included with samples.

Joan Redwing Synthesis Leadjmr31@psu.edu

Questions? Contact:

Webinar Series

• Webinars are free with online registration and will be recorded for dissemination

• Technical Science Talks – What’s new with us (inside speakers)– What’s new around the world (outside speakers)

• Broader topics such as Science related to diversity

+

• Series will run last Tuesday of each month, 12-1 pm Eastern• Next talk will focus on Theory/Computation, July 26th

Visit 2DCC’s website!

mip.psu.edu