20122019

Research output per year

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Research Output

  • 26 Journal article
  • 1 Ph.D. thesis
  • 1 Book chapter
  • 1 Conference abstract in proceedings
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Journal article
2019

Definition of a scoring parameter to identify low-dimensional materials components

Larsen, P. M., Pandey, M., Strange, M. & Jacobsen, K. W., 2019, In : Physical Review Materials. 3, 3, 11 p., 034003.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
190 Downloads (Pure)

Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'

Haastrup, S., Strange, M., Pandey, M., Deilmann, T., Schmidt, P. S., Hinsche, N. F., Gjerding, M. N., Torelli, D., Larsen, P. M., Riis-Jensen, A. C., Gath, J., Jacobsen, K. W., Mortensen, J. J., Olsen, T. & Thygesen, K. S., 2019, In : 2D materials. 6, 4, 3 p., 048002.

Research output: Contribution to journalJournal articleCommunication

Open Access
File
73 Downloads (Pure)

Shining Light on Sulfide Perovskites: LaYS3 Material Properties and Solar Cells

Crovetto, A., Nielsen, R., Pandey, M., Watts, L., Labram, J. G., Geisler, M., Stenger, N., Jacobsen, K. W., Hansen, O., Seger, B., Chorkendorff, I. & Vesborg, P. C. K., 2019, In : Chemistry of Materials. 31, 9, p. 3359-3369 11 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2018

Efficient Charge Separation in 2D Janus van der Waals Structures with Built-in Electric Fields and Intrinsic p-n Doping

Riis-Jensen, A. C., Pandey, M. & Thygesen, K. S., 2018, In : Journal of Physical Chemistry C. 122, 43, p. 24520-24526 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
51 Downloads (Pure)

Fundamental limitation of electrocatalytic methane conversion to methanol

Arnarson, L., Schmidt, P. S., Pandey, M., Bagger, A., Thygesen, K. S., Stephens, I. E. L. & Rossmeisl, J., 2018, In : Physical Chemistry Chemical Physics. 20, 16, p. 11152-11159 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
147 Downloads (Pure)

High-Throughput Computational Assessment of Previously Synthesized Semiconductors for Photovoltaic and Photoelectrochemical Devices

Kuhar, K., Pandey, M., Thygesen, K. S. & Jacobsen, K. W., 2018, In : ACS Energy Letters. 3, 2, p. 436-446

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
148 Downloads (Pure)
Open Access
File
77 Downloads (Pure)

The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

Haastrup, S., Strange, M., Pandey, M., Deilmann, T., Schmidt, P. S., Hinsche, N. F., Gjerding, M. N., Torelli, D., Larsen, P. M., Riis-Jensen, A. C., Gath, J., Jacobsen, K. W., Mortensen, J. J., Olsen, T. & Thygesen, K. S., 2018, In : 2D materials. 5, 4, 36 p., 042002.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
348 Downloads (Pure)
2017

Band structure engineered layered metals for low-loss plasmonics

Gjerding, M. N., Pandey, M. & Thygesen, K. S., 2017, In : Nature Communications. 8, 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
245 Downloads (Pure)

II–IV–V2 and III–III–V2 Polytypes as Light Absorbers for Single Junction and Tandem Photovoltaic Devices

Pandey, M., Kuhar, K. & Jacobsen, K. W., 2017, In : Journal of Physical Chemistry C. 121, 33, p. 17780−17786 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Two-Dimensional MXenes as Catalysts for Electrochemical Hydrogen Evolution: A Computational Screening Study

Pandey, M. & Thygesen, K. S., 2017, In : Journal of Physical Chemistry C. 121, 25, p. 13593-13598 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
593 Downloads (Pure)
2016

Atomically Thin Ordered Alloys of Transition Metal Dichalcogenides: Stability and Band Structures

Pandey, M., Jacobsen, K. W. & Thygesen, K. S., 2016, In : Journal of Physical Chemistry C. 120, 40, p. 23024-23029

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
605 Downloads (Pure)

Defect-Tolerant Monolayer Transition Metal Dichalcogenides

Pandey, M., Rasmussen, F. A., Kuhar, K., Olsen, T., Jacobsen, K. W. & Thygesen, K. S., 2016, In : Nano letters. 16, 4, p. 2234-2239 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Phase Transition of MoS2 Bilayer Structures

Pandey, M., Bothra, P. & Pati, S. K., 2016, In : Journal of Physical Chemistry C. 120, 7, p. 3776-3780 5 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Size-selective electrocatalytic activity of (Pt)n/MoS2for oxygen reduction reaction

Bothra, P., Pandey, M. & Pati, S. K., 2016, In : Catalysis Science & Technology. 6, 16, p. 6389-6395

Research output: Contribution to journalJournal articleResearchpeer-review

2015

Band-gap engineering of functional perovskites through quantum confinement and tunneling

Castelli, I. E., Pandey, M., Thygesen, K. S. & Jacobsen, K. W., 2015, In : Physical Review B. 91, 16, 6 p., 165309.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
303 Downloads (Pure)

Heats of formation of solids with error estimation: The mBEEF functional with and without fitted reference energies

Pandey, M. & Jacobsen, K. W., 2015, In : Physical Review B. 91, 23, p. 1-9 10 p., 235201.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
561 Downloads (Pure)

Two-dimensional metal dichalcogenides and oxides for hydrogen evolution: A computational screening approach

Pandey, M., Vojvodic, A., Thygesen, K. S. & Jacobsen, K. W., 2015, In : The Journal of Physical Chemistry Letters. 6, 9, p. 1527-1585 59 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2014

New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations

Castelli, I. E., Hüser, F., Pandey, M., Li, H., Thygesen, K. S., Seger, B., Jain, A., Persson, K. A., Ceder, G. & Jacobsen, K. W., 2014, In : Advanced Energy Materials. p. 1400915 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2013

Hydroxylation induced stabilization of near-surface rocksalt nanostructure on wurtzite ZnO structure

Pandey, M. & Pala, R. G. S., 2013, In : Journal of Chemical Physics. 138, 22

Research output: Contribution to journalJournal articleResearchpeer-review

File
48 Downloads (Pure)

Increased Loading of Eu3+ Ions in Monazite LaVO4 Nanocrystals via Pressure-Driven Phase Transitions

Gangwar, P., Pandey, M., Sivakumar, S., Pala, R. G. S. & Parthasarathy, G., 2013, In : Crystal Growth & Design. 13, 6, p. 2344-2349 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Stabilization of Rocksalt CdSe at Atmospheric Pressures via Pseudomorphic Growth

Pandey, M. & Pala, R. G. S., 2013, In : The Journal of Physical Chemistry Part C. 117, 15, p. 7643-7647 5 p.

Research output: Contribution to journalJournal articleResearchpeer-review

2012

Stabilization and growth of non-native nanocrystals at low and atmospheric pressures

Pandey, M. & Pala, R. G. S., 2012, In : Journal of Chemical Physics. 136, 4, p. 044703 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review