Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Mohnish Pandey"'
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-8 (2017)
Here the authors show that Ohmic losses are reduced in certain layered metals, such as the transition metal dichalcogenide, due to a small density of states for scattering in the near-IR originating from the electronic band structure, thus leading to
Externí odkaz:
https://doaj.org/article/152b4054011c4aa291a4d44a7756d575
Publikováno v:
The Journal of Physical Chemistry C. 124:27604-27613
We have performed density functional theory calculations to explore the possibility to overcome the linear scaling relations in the oxygen reduction reaction (ORR) using local inhomogeneities on Pt...
Publikováno v:
Riis-Jensen, A C, Pandey, M & Thygesen, K S 2018, ' Efficient Charge Separation in 2D Janus van der Waals Structures with Built-in Electric Fields and Intrinsic p-n Doping ', Journal of Physical Chemistry C, vol. 122, no. 43, pp. 24520-24526 . https://doi.org/10.1021/acs.jpcc.8b05792
The Journal of Physical Chemistry C
The Journal of Physical Chemistry C
Janus MoSSe monolayers were recently synthesised by replacing S by Se on one side of MoS$_2$ (or vice versa for MoSe$_2$). Due to the different electronegativity of S and Se these structures carry a finite out-of-plane dipole moment. As we show here
Publikováno v:
Kuhar, K, Pandey, M, Thygesen, K S & Jacobsen, K W 2018, ' High-Throughput Computational Assessment of Previously Synthesized Semiconductors for Photovoltaic and Photoelectrochemical Devices ', ACS Energy Letters, vol. 3, no. 2, pp. 436-446 . https://doi.org/10.1021/acsenergylett.7b01312
Using computational screening we identify materials with potential use as light absorbers in photovoltaic or photoelectrochemical devices. The screening focuses on compounds of up to three different chemical elements which are abundant and nontoxic.
Autor:
Per Simmendefeldt Schmidt, Kristian Sommer Thygesen, Logi Arnarson, Mohnish Pandey, Ifan E. L. Stephens, Jan Rossmeisl, Alexander Bagger
Publikováno v:
Arnarson, L, Schmidt, P S, Pandey, M, Bagger, A, Thygesen, K S, Stephens, I E L & Rossmeisl, J 2018, ' Fundamental limitation of electrocatalytic methane conversion to methanol ', Physical Chemistry Chemical Physics, vol. 20, no. 16, pp. 11152-11159 . https://doi.org/10.1039/c8cp01476k
The electrochemical oxidation of methane to methanol at remote oil fields where methane is flared is the ultimate solution to harness this valuable energy resource. In this study we identify a fundamental surface catalytic limitation of this process
Publikováno v:
The Journal of Physical Chemistry C. 121:17780-17786
Recent experiments on II–IV–V2 type nitrides and phosphides have shown that these materials are potential candidates as photovoltaic absorbers. The materials space for such light absorbers can be expanded by elemental substitution of the differen
Publikováno v:
Pandey, M & Thygesen, K S 2017, ' Two-Dimensional MXenes as Catalysts for Electrochemical Hydrogen Evolution: A Computational Screening Study ', Journal of Physical Chemistry C, vol. 121, no. 25, pp. 13593-13598 . https://doi.org/10.1021/acs.jpcc.7b05270
We use density functional theory calculations to explore different polymorphs of a new class of 2D materials commonly known as MXenes,which are primarily carbides and nitrides of transition metals. The stability of the M2X, M3X2, and M4X3 polymorphs
Autor:
Peter Christian Kjærgaard Vesborg, Mohnish Pandey, Andrea Crovetto, Karsten Wedel Jacobsen, Ole Hansen, Korina Kuhar, Ib Chorkendorff, Kristian Sommer Thygesen, Brian Seger
Publikováno v:
Energy & Environmental Science. 10:2579-2593
One of the key challenges in photoelectrochemical water splitting is to identify efficient semiconductors with band gaps of the order of ∼2 eV to operate as the large-band-gap component in water splitting tandem devices. Here, we address this chall
Autor:
Lowell Watts, John G. Labram, Peter Christian Kjærgaard Vesborg, Andrea Crovetto, Brian Seger, Nicolas Stenger, Ib Chorkendorff, Karsten Wedel Jacobsen, Ole Hansen, Mathias Geisler, Rasmus Nielsen, Mohnish Pandey
Publikováno v:
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, ' Shining Light on Sulfide Perovskites: LaYS 3 Material Properties and Solar Cells ', Chemistry of Materials, vol. 31, no. 9, pp. 3359-3369 . https://doi.org/10.1021/acs.chemmater.9b00478
The sulfide perovskite LaYS3 has been recently identified as a promising wide band gap photoabsorber material by computational screening techniques. In this study, we combine experiment and theory to comprehensively characterize LaYS3 thin films prod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b0018b0f09e9d5f991e61a5573a622e
https://zenodo.org/record/4742759
https://zenodo.org/record/4742759
Autor:
Alexander Sougaard Tygesen, Mohnish Pandey, Kristian Sommer Thygesen, Tejs Vegge, Juan María García-Lastra
Publikováno v:
Tygesen, A S, Pandey, M, Vegge, T, Thygesen, K S & García-Lastra, J M 2019, ' Role of Long-Range Dispersion Forces in Modeling of MXenes as Battery Electrode Materials ', The Journal of Physical Chemistry Part C, vol. 123, no. 7, pp. 4064-4071 . https://doi.org/10.1021/acs.jpcc.8b11663
We present a density functional theory study of stacked MXenes with the aim of assessing the accuracy of the most widely used exchange–correlation (xc) functionals for calculating properties relevant for battery electrode materials, namely, mechani
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f73e9d0791fa615064acf5246d078b3d
https://orbit.dtu.dk/en/publications/076d4ada-ec75-4e47-a27e-da063e186d3b
https://orbit.dtu.dk/en/publications/076d4ada-ec75-4e47-a27e-da063e186d3b