NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2013, 4 (2), P. 294–298
EFFECT OF ANCHORING ATOMS ON TRANSPORT PROPERTIES OF A CARBON-DIMER BASED MOLECULAR JUNCTIONS: A FIRST PRINCIPLES STUDY
RM. Hariharan – Centre for Materials Sciences and Nanodevices, Department of Physics and Nanotechnology, SRM University, Kattankulathur-603203, India
D. John Thiruvadigal – Centre for Materials Sciences and Nanodevices, Department of Physics and Nanotechnology, SRM University, Kattankulathur-603203, India; john.d@ktr.srmuniv.ac.in
The conductance of a molecular device is sensitive to the contact geometry between the molecules and the probing electrodes. Combining the density functional theory calculations (DFT) for molecular electronic structure with a non-equilibrium Green’s function (NEGF) method for electron transport, we calculate the molecular conductance of carbon dimer connected between Au leads through two different anchoring atoms Se and Te. The current-voltage characteristics and transmission spectra of two systems are studied. The results exhibit that, depending on the anchoring groups and the subsequent different metal-molecule chemical bonds, the current varies over more than four times of magnitude under the same bias. Furthermore, the system exhibits negative differential resistance (NDR) effect, when anchored with Te atom. This emphasizes the great importance of the anchoring groups in molecular devices.
Keywords: anchoring group effects, electronic transport, first-principle, I-V characteristics.
PACS 73.23.-b
I dugg some of you post as I cogitated they were very useful invaluable
pin up azerbaijan: pin up casino – pin-up oyunu
Very interesting information!Perfect just what I was searching for!
Very informative and fantastic bodily structure of content material, now that’s user genial (:.
Good write-up, I?¦m normal visitor of one?¦s blog, maintain up the nice operate, and It’s going to be a regular visitor for a lengthy time.
Hmm it looks like your website ate my first comment (it was super long) so I guess I’ll just sum it up what I submitted and say, I’m thoroughly enjoying your blog. I too am an aspiring blog blogger but I’m still new to everything. Do you have any tips for newbie blog writers? I’d really appreciate it.
You are my aspiration, I own few web logs and often run out from to post : (.
I have been exploring for a bit for any high-quality articles or weblog posts on this sort of area . Exploring in Yahoo I finally stumbled upon this website. Reading this info So i?¦m glad to exhibit that I’ve an incredibly just right uncanny feeling I discovered just what I needed. I such a lot no doubt will make sure to don?¦t put out of your mind this website and provides it a glance regularly.
Hi there, You have done a fantastic job. I’ll definitely digg it and personally suggest to my friends. I’m sure they will be benefited from this web site.
I like this weblog its a master peace ! Glad I detected this on google .
Hello, i read your blog from time to time and i own a similar one and i was just wondering if you get a lot of spam comments? If so how do you prevent it, any plugin or anything you can advise? I get so much lately it’s driving me insane so any assistance is very much appreciated.
I gotta favorite this internet site it seems very helpful invaluable
I’d have to examine with you here. Which is not one thing I usually do! I take pleasure in reading a post that may make folks think. Additionally, thanks for permitting me to comment!
I will right away grab your rss as I can’t find your e-mail subscription link or e-newsletter service. Do you’ve any? Please let me know in order that I could subscribe. Thanks.
My developer is trying to persuade me to move to .net from PHP. I have always disliked the idea because of the costs. But he’s tryiong none the less. I’ve been using WordPress on numerous websites for about a year and am concerned about switching to another platform. I have heard very good things about blogengine.net. Is there a way I can import all my wordpress content into it? Any help would be really appreciated!
Thanks for another fantastic post. Where else could anyone get that kind of information in such a perfect way of writing? I’ve a presentation next week, and I’m on the look for such info.
Magnificent goods from you, man. I have be aware your stuff previous to and you’re simply extremely great. I really like what you have obtained right here, certainly like what you’re saying and the best way wherein you say it. You make it enjoyable and you continue to care for to stay it wise. I cant wait to learn far more from you. That is really a great website.
Im not certain where you are getting your information, however great topic. I needs to spend some time finding out more or figuring out more. Thanks for great info I used to be on the lookout for this info for my mission.
Hi! This is kind of off topic but I need some guidance from an established blog. Is it very hard to set up your own blog? I’m not very techincal but I can figure things out pretty quick. I’m thinking about making my own but I’m not sure where to begin. Do you have any tips or suggestions? Thank you
Wonderful beat ! I wish to apprentice whilst you amend your website, how could i subscribe for a weblog site? The account helped me a appropriate deal. I had been tiny bit familiar of this your broadcast offered vivid clear concept
Hi, I think your site might be having browser compatibility issues. When I look at your website in Safari, it looks fine but when opening in Internet Explorer, it has some overlapping. I just wanted to give you a quick heads up! Other then that, fantastic blog!
Hi! I could have sworn I’ve been to this website before but after browsing through some of the post I realized it’s new to me. Nonetheless, I’m definitely happy I found it and I’ll be book-marking and checking back often!
Im not certain where you are getting your information, but good topic. I must spend some time studying much more or understanding more. Thank you for great info I used to be looking for this information for my mission.
Iran Charter ( ایران چارتر ) is Iran’s first online charter and flight ticket purchase system Charter,as the first comprehensive online ticket service provider of charter airline tickets,seeks to provide easy and convenient services to customers for easy purchase of airline tickets,so we believe that the first principle of e-commerce is the ease of operation, with a contract As a ticket supplier,We have made it easy for you with charter companies and different airlines.
I’m also commenting to make you know what a brilliant experience my girl obtained visiting your web page. She noticed such a lot of pieces, most notably what it’s like to have an ideal giving nature to get most people completely master specific impossible topics. You really surpassed my expectations. Thanks for providing such warm and helpful, safe, edifying as well as fun guidance on that topic to Julie.
We absolutely love your blog and find nearly all of your post’s to be what precisely I’m looking for. can you offer guest writers to write content to suit your needs? I wouldn’t mind producing a post or elaborating on some of the subjects you write regarding here. Again, awesome site!
Way cool, some valid points! I appreciate you making this article available, the rest of the site is also high quality. Have a fun.
I’ve been exploring for a little for any high-quality articles or weblog posts in this kind of area . Exploring in Yahoo I at last stumbled upon this site. Studying this information So i’m satisfied to convey that I’ve a very good uncanny feeling I discovered just what I needed. I such a lot undoubtedly will make sure to do not disregard this site and provides it a glance on a constant basis.
I am continually searching online for posts that can assist me. Thx!
Blue salt trick
Some genuinely interesting information, well written and generally user pleasant.
Salt trick for men
Salt trick explained
Blue salt trick
Blue sant trick for men
Salt trick to stay hard
Salt trick for man growth
Nitric boost ultra reviews
Salt Trick
Salt trick for man
Moundrops review
Moundrops reviews
hi!,I really like your writing very much! percentage we communicate more approximately your post on AOL? I need a specialist in this space to solve my problem. May be that’s you! Taking a look forward to see you.
Salt trick for man growth
Aqua Sculpt
Nitric Boost ultra
Nitric Boost ultra
Salt Trick
Salt trick for man
Salt trick explained
Salt trick for men
Nitric boost ultra reviews
Ice water hack for weight loss
I do love the manner in which you have framed this specific problem and it does indeed provide us a lot of fodder for consideration. Nevertheless, from everything that I have seen, I basically hope when the actual opinions pack on that folks remain on point and in no way get started on a tirade associated with some other news of the day. Still, thank you for this fantastic point and while I can not go along with it in totality, I regard your standpoint.
Salt trick explained
Salt trick explained
ICE WATER HACK
Salt trick for men
Salt trick for men in bed
Ice water hack for weight loss
Salt trick for men in bed
Salt trick to stay hard
Salt trick explained
Salt trick to stay hard
Salt trick recipe
I appreciate, cause I found just what I was looking for. You have ended my 4 day long hunt! God Bless you man. Have a nice day. Bye
Simply wanna remark on few general things, The website style and design is perfect, the articles is rattling fantastic. “The way you treat yourself sets the standard for others.” by Sonya Friedman.